1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H17BrF3N — CID 64758604

IUPAC1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccccc2Br)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17BrF3N/c15-12-6-2-1-4-10(12)8-13(19)7-3-5-11(9-13)14(16,17)18/h1-2,4,6,11H,3,5,7-9,19H2
InChIKeyAUCLPJAMGIKCKL-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.44
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64758604) has the molecular formula C14H17BrF3N and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64758604
Molecular FormulaC14H17BrF3N
Molecular Weight336.19 g/mol
Exact Mass335.05
IUPAC Name1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(Cc2ccccc2Br)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H17BrF3N/c15-12-6-2-1-4-10(12)8-13(19)7-3-5-11(9-13)14(16,17)18/h1-2,4,6,11H,3,5,7-9,19H2
InChIKeyAUCLPJAMGIKCKL-UHFFFAOYSA-N
XLogP4.44
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine 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

Phenethylamine, o-bromo-alpha,alpha-dimethyl-, hydrochloride
CID 116476
1-[(4-Bromophenyl)methyl]cyclohexan-1-amine
CID 47003188
4-(2-Bromophenyl)-2-methylbutan-2-amine
CID 82293291
1-[(2-Bromophenyl)methyl]cyclopropan-1-amine hydrochloride
CID 119031956
1-(2-Bromophenyl)-2-methylpropan-2-amine
CID 116477
4-[2-Bromo-5-(trifluoromethyl)phenyl]-3-phenylpentan-1-amine
CID 57085827
1-(2-Bromo-4-fluorophenyl)-2-methylpropan-2-amine
CID 62622386
1-[(2-Bromophenyl)methyl]cyclopropan-1-amine
CID 62830880
4-(2-Bromophenyl)-2-[2-(trifluoromethyl)phenyl]butane-1,3-diamine
CID 70132557
4-(2-Bromo-4,5-difluorophenyl)-2-methylbutan-2-amine
CID 89674978
(2S)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110839
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 64758604) is 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is NC1(Cc2ccccc2Br)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AUCLPJAMGIKCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3N/c15-12-6-2-1-4-10(12)8-13(19)7-3-5-11(9-13)14(16,17)18/h1-2,4,6,11H,3,5,7-9,19H2.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 336.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64758604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).