1-[ (4-Bromophenyl) methyl]cyclohexan-1-amine

CAT: 0926-DXB61168-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-DXB61168-02Size:1 g

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CAS Number

1178611-68-1

MDL Number

MFCD12153115

Smiles

C1CCC (CC1) (CC2=CC=C (C=C2) Br) N

Molecular Formula

C13H18BrN

Molecular Weight

268.19 g/mol

Controlled

Chemical Information

1-[(4-Bromophenyl)methyl]cyclohexan-1-amine

CAS Number	1178611-68-1
PubChem CID	47003188
IUPAC Name	1-[(4-bromophenyl)methyl]cyclohexan-1-amine
Molecular Formula	C13H18BrN
Molecular Weight	268.19
XLogP	3.6
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	191

SMILES

C1CCC(CC1)(CC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C13H18BrN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2

InChIKey

NRHDLICZUZLWMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1178611-68-1

CID: 47003188

Formula: C13H18BrN

MW: 268.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.19
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	267.06226
Monoisotopic Mass	267.06226
Topological Polar Surface Area	26 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	191
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
FDD53044-01	1- (4-Bromophenyl) cyclohexan-1-amine hydrochloride
BCB13577-01	1- (3-bromophenyl) cyclohexan-1-amine
GYB67947-01	4-[ (Methylamino) methyl]cyclohexan-1-amine
PZC05841-01	1- (2-Bromophenyl) cyclohexan-1-amine hydrochloride
BCB13834-01	1- (3-Bromophenyl) cyclohexan-1-amine hydrochloride
GCC07989-01	1- ({[ (3-Bromophenyl) methyl]amino}methyl) cyclohexan-1-ol
VXC63948-01	4-[ (Methylsulfanyl) methyl]cyclohexan-1-amine hydrochloride
APD13604-01	4-[ (Dimethylamino) methyl]cyclohexan-1-amine dihydrochloride
MDA31044-01	[1- (4-Bromophenyl) ethyl] (methyl) amine
VCA16724-01	1-[ (4-Chlorophenyl) methyl]cyclohexan-1-amine hydrochloride

Catalog	Name
OR50995	Rac- (1R,3S) -3- (4-Bromophenyl) cyclohexan-1-amine hydrochloride
PC403154	4,4-Difluoro-1-[ (4-fluorophenyl) methyl]cyclohexan-1-amine hydrochloride
OR1020937	1-[ (4-Bromophenyl) methyl]cyclopropan-1-amine hydrochloride
PC403136	4,4-Difluoro-1-[ (2-fluorophenyl) methyl]cyclohexan-1-amine hydrochloride
OR78643-01	4- (Methylsulfonyl) cyclohexan-1-amine hydrochloride
GTR19277268-01	4- (2-Aminoethyl) cyclohexan-1-amine
OR1053481-01	Trans-4- (Aminomethyl) cyclohexan-1-amine
PC403137	4,4-Difluoro-1-[ (3-fluorophenyl) methyl]cyclohexan-1-amine hydrochloride
PC111770-01	4- (Difluoromethylene) cyclohexan-1-amine hydrochloride
OR95694-01	4- (tert-Butyl) cyclohexan-1-amine