1- (3-Fluorophenyl) Cyclohexan-1-Amine

CAT: 0926-FF82990-03Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0926-FF82990-03Size:500 mg

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CAS Number

125827-86-3

MDL Number

MFCD11103947

Smiles

C1CCC (CC1) (C2=CC (=CC=C2) F) N

Molecular Formula

C12H16FN

Molecular Weight

193.26 g/mol

Controlled

Yes

Chemical Information

1-(3-Fluorophenyl)cyclohexylamine

structure given in first source

CAS Number	125827-86-3
PubChem CID	3035993
IUPAC Name	1-(3-fluorophenyl)cyclohexan-1-amine
Molecular Formula	C12H16FN
Molecular Weight	193.26
XLogP	2.5
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	187

SMILES

C1CCC(CC1)(C2=CC(=CC=C2)F)N

InChI

InChI=1S/C12H16FN/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9H,1-3,7-8,14H2

InChIKey

JNWGVEKXINNKAU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 125827-86-3

CID: 3035993

Formula: C12H16FN

MW: 193.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.26
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	193.126677677
Monoisotopic Mass	193.126677677
Topological Polar Surface Area	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	187
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
SAA38080-01	1- (4-Fluorophenyl) cyclohexan-1-amine
AFA80216-01	1- (2-Fluorophenyl) cyclohexan-1-amine hydrochloride
LIC70719-01	4- (4-Fluorophenyl) cyclohexan-1-amine hydrochloride
FSD25371-01	1-[ (2-Fluorophenyl) methyl]cyclohexan-1-amine hydrochloride
QCC36518-01	3- (Methylsulfanyl) cyclohexan-1-amine
QDC43368-01	3- (Ethylsulfanyl) cyclohexan-1-amine
QDC20472-01	3- (Ethanesulfinyl) cyclohexan-1-amine
LIC71407-01	3- (Difluoromethyl) cyclohexan-1-amine
XDA08759-01	3- (Aminomethyl) cyclohexan-1-amine
DPC10435-01	3- (Difluoromethoxy) cyclohexan-1-amine

Catalog	Name
PC49823	Rac- (1R,3S) -3- (3-Fluorophenyl) cyclohexan-1-amine hydrochloride
PC51382	Rac- (1R,3S) -3- (4-Fluorophenyl) cyclohexan-1-amine hydrochloride
PC403137	4,4-Difluoro-1-[ (3-fluorophenyl) methyl]cyclohexan-1-amine hydrochloride
PC403154	4,4-Difluoro-1-[ (4-fluorophenyl) methyl]cyclohexan-1-amine hydrochloride
PC403136	4,4-Difluoro-1-[ (2-fluorophenyl) methyl]cyclohexan-1-amine hydrochloride
sc-280095	Spiro[1,3-benzodioxole-2,1'-cyclohexan]-5-amine
PC99991-01	1- (3-Fluorophenyl) cyclopropan-1-amine
HY-W728631-01	2- (3-Fluorophenyl) -2- (methylamino) cyclohexan-1-one hydrochloride
TRC-F376880-500MG	2-(3-Fluorophenyl)-2-(methylamino)cyclohexan-1-one Hydrochloride
OR50980	Rac- (1R,3S) -3- (3-Bromophenyl) cyclohexan-1-amine hydrochloride