N-[ (5-Phenylthiophen-2-yl) methyl]cyclohexanamine

CAT: 0926-CWB88101-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-CWB88101-01Size:50 mg

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CAS Number

1152881-01-0

MDL Number

MFCD12494688

Smiles

C1CCC (CC1) NCC2=CC=C (S2) C3=CC=CC=C3

Molecular Formula

C17H21NS

Molecular Weight

271.4 g/mol

Controlled

Chemical Information

N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine

CAS Number	1152881-01-0
PubChem CID	43222651
IUPAC Name	N-[(5-phenylthiophen-2-yl)methyl]cyclohexanamine
Molecular Formula	C17H21NS
Molecular Weight	271.4
XLogP	4.5
Topological Polar Surface Area	40.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	19
Formal Charge	0
Complexity	256

SMILES

C1CCC(CC1)NCC2=CC=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C17H21NS/c1-3-7-14(8-4-1)17-12-11-16(19-17)13-18-15-9-5-2-6-10-15/h1,3-4,7-8,11-12,15,18H,2,5-6,9-10,13H2

InChIKey

XYZXNFHTCDYOAE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1152881-01-0

CID: 43222651

Formula: C17H21NS

MW: 271.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	271.4
XLogP3	4.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	271.13947085
Monoisotopic Mass	271.13947085
Topological Polar Surface Area	40.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	256
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AQB93343-01	1-[ (5-Phenylthiophen-2-yl) methyl]piperazine
VTB20497-01	[ (5-Phenylthiophen-2-yl) methyl] (propan-2-yl) amine
WBA42573-01	N-[ (2-Chlorophenyl) methyl]cyclohexanamine
JBD30565-01	N-Methyl-N- (prop-2-yn-1-yl) cyclohexanamine hydrochloride
RYB55530-01	(5-Phenylthiophen-2-yl) methanamine hydrochloride
UYB96061-01	N-Methyl-N- (2-piperidinylmethyl) cyclohexanamine dihydrochloride
YGC02557-01	N-[ (2-Fluorophenyl) methyl]cyclohexanamine hydrochloride
FM157909-01	1- (5-Methyl-1,2,4-oxadiazol-3-yl) cyclohexanamine hydrochloride
ICA26795-01	(E) -3- (5-Phenylthiophen-2-yl) acrylic acid
NEA73806-01	N- (But-3-yn-1-yl) cyclohexanamine hydrochloride

Catalog	Name
OR1070556-01	(2-Methyl-5-phenylthiophen-3-yl) boronic acid
sc-333075	1- (5-methyl-1,2,4-oxadiazol-3-yl) cyclohexanamine hydrochloride
OR1067048-01	4,4,5,5-Tetramethyl-2- (2-methyl-5-phenylthiophen-3-yl) -1,3,2-dioxaborolane
sc-330520	N-[ (1-Methyl-1H-pyrazol-4-yl) methyl]-cyclohexanamine
sc-343220A	2-propoxy-5- (trifluoromethyl) cyclohexanamine
OR1040524-01	N- (but-3-yn-2-yl) cyclohexanamine
sc-339543A	2- (2-methoxyethoxy) -5- (trifluoromethyl) cyclohexanamine
OR1045480-01	N- (Prop-2-yn-1-yl) cyclohexanamine
sc-274043	2- (trifluoromethyl) cyclohexanamine
sc-339569A	2- (2,2,2-trifluoroethoxy) -5- (trifluoromethyl) cyclohexanamine