1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride

C12H17BrClN — CID 68536081

IUPAC1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C12H16BrN.ClH/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12;/h4-6,9H,1-3,7-8,14H2;1H
InChIKeySPQMZBWOMLZRBB-UHFFFAOYSA-N
MW290.63 g/mol
LogP3.99
Rot. Bonds1

About 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride

1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 68536081) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride
PubChem CID68536081
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride
SMILESCl.NC1(c2cccc(Br)c2)CCCCC1
InChIInChI=1S/C12H16BrN.ClH/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12;/h4-6,9H,1-3,7-8,14H2;1H
InChIKeySPQMZBWOMLZRBB-UHFFFAOYSA-N
XLogP3.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Phenylcyclohexylamine
CID 31862
Cyclohexanamine, 1-phenyl-, hydrochloride (1:1)
CID 200391
3-Bromobenzylamine hydrochloride
CID 2724980
2-(4-Bromophenyl)propan-2-amine
CID 23009116
Phenethylamine, p-bromo-alpha,alpha-dimethyl-, hydrochloride
CID 73838
Phenethylamine, o-bromo-alpha,alpha-dimethyl-, hydrochloride
CID 116476
(S)-1-(3-bromophenyl)ethanamine
CID 9952938
1-(2-Bromophenyl)cyclopropanamine
CID 10921794
(R)-1-(3-bromophenyl)ethanamine
CID 22831503
1-(4-Bromophenyl)cyclopropanamine
CID 18710195
cis-(1S,2R)-2-(3-bromophenyl)-1-ethylcyclopropan-1-amine;hydrochloride
CID 118730221
cis-(1S,2R)-2-(3-bromophenyl)-1-(2-phenylethyl)cyclopropan-1-amine;hydrochloride
CID 118730223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride (CID 68536081) is 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride is Cl.NC1(c2cccc(Br)c2)CCCCC1.
What is the InChIKey of 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is SPQMZBWOMLZRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN.ClH/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12;/h4-6,9H,1-3,7-8,14H2;1H.
What are the key properties of 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride?
1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 290.63 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 68536081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).