N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride

C16H24BrClN2O — CID 119611792

IUPACN-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCc1ccccc1Br
InChIInChI=1S/C16H23BrN2O.ClH/c17-14-7-3-1-5-12(14)9-10-16(20)19-15-8-4-2-6-13(15)11-18;/h1,3,5,7,13,15H,2,4,6,8-11,18H2,(H,19,20);1H
InChIKeyMXRQVNBLKQWMAE-UHFFFAOYSA-N
MW375.74 g/mol
LogP3.44
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride (PubChem CID 119611792) has the molecular formula C16H24BrClN2O and a molecular weight of 375.74 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
PubChem CID119611792
Molecular FormulaC16H24BrClN2O
Molecular Weight375.74 g/mol
Exact Mass374.08
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCc1ccccc1Br
InChIInChI=1S/C16H23BrN2O.ClH/c17-14-7-3-1-5-12(14)9-10-16(20)19-15-8-4-2-6-13(15)11-18;/h1,3,5,7,13,15H,2,4,6,8-11,18H2,(H,19,20);1H
InChIKeyMXRQVNBLKQWMAE-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;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

N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
N-[2-(aminomethyl)cyclopentyl]-3-(2-bromo-5-chlorophenyl)propanamide
CID 119602349
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
N-[2-(aminomethyl)cyclopentyl]-4-(2-bromophenoxy)butanamide;hydrochloride
CID 119603805
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
N-[2-(aminomethyl)cyclopentyl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119604035
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide;hydrochloride
CID 119604388
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
N-[2-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenyl)propanamide
CID 119604389

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride (CID 119611792) is N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CCc1ccccc1Br.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride?
The InChIKey is MXRQVNBLKQWMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O.ClH/c17-14-7-3-1-5-12(14)9-10-16(20)19-15-8-4-2-6-13(15)11-18;/h1,3,5,7,13,15H,2,4,6,8-11,18H2,(H,19,20);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride has a molecular weight of 375.74 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119611792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).