3-Methyl-5-phenylcyclohexan-1-amine

CAT: 0926-EFC31960-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-EFC31960-02Size:0.5 g

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CAS Number

1379319-60-4

MDL Number

MFCD20712961

Smiles

CC1CC (CC (C1) N) C2=CC=CC=C2

Molecular Formula

C13H19N

Molecular Weight

189.3 g/mol

Controlled

Chemical Information

3-Methyl-5-phenylcyclohexan-1-amine

CAS Number	1379319-60-4
PubChem CID	20692215
IUPAC Name	3-methyl-5-phenylcyclohexan-1-amine
Molecular Formula	C13H19N
Molecular Weight	189.30
XLogP	2.9
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	172

SMILES

CC1CC(CC(C1)N)C2=CC=CC=C2

InChI

InChI=1S/C13H19N/c1-10-7-12(9-13(14)8-10)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,14H2,1H3

InChIKey

BPGLCNOUOZBXFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1379319-60-4

CID: 20692215

Formula: C13H19N

MW: 189.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.30
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	189.151749610
Monoisotopic Mass	189.151749610
Topological Polar Surface Area	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
UAA99243-01	3-Phenylcyclohexan-1-amine
KCA74175-01	3-Methyl-5-phenylcyclohexan-1-one
TDA75913-01	N-Methyl-2-phenylcyclohexan-1-amine
GCA32727-01	4-Methyl-4-phenylcyclohexan-1-amine hydrochloride
XAA72050-01	2-Phenylcyclohexan-1-amine hydrochlorides
BAA93463-01	N- (3-Methoxypropyl) -1-phenylcyclohexan-1-amine, hydrochloride
UDA73414-01	1-Methyl-2-phenylcyclohexan-1-ol
DBA12482-01	Rac- (1R,4R) -N-Methyl-4-phenylcyclohexan-1-amine hydrochloride
NDA95899-01	2-Methyl-4-phenylcyclohexan-1-one
DXC58926-01	2-Methoxy-4-phenylcyclohexan-1-amine hydrochloride

Catalog	Name
426607	3-Phenylcyclohexan-1-amine Hydrochloride
sc-355698A	N-methyl-4-phenylcyclohexan-1-amine hydrochloride
sc-347415A	[ (3,5-dimethoxyphenyl) methyl] (methyl) amine
OR1035641-01	(1,3-Dioxaindan-5-ylmethyl) (methyl) amine
sc-274994	2-Methyl-1,3-benzoxazol-5-amine
OR956047-01	5-Methyl-1,3-benzoxazol-2-amine
OR86411-01	4-Methyl-1,3-thiazol-5-amine
OR480282	5- (Methoxymethyl) -1-methyl-pyrazol-3-amine
OR72325-01	5-methyl-1,3-oxazol-2-amine
sc-354071A	Methyl[ (2-methyl-1,3-thiazol-5-yl) methyl]amine