4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide

C15H21BrN2O2 — CID 81488925

IUPAC4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(CN)CC2)ccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-20-14-8-12(6-7-13(14)16)18-15(19)11-4-2-10(9-17)3-5-11/h6-8,10-11H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyIKMATOFHZUSANK-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.16
Rot. Bonds4

About 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide

4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 81488925) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID81488925
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1cc(NC(=O)C2CCC(CN)CC2)ccc1Br
InChIInChI=1S/C15H21BrN2O2/c1-20-14-8-12(6-7-13(14)16)18-15(19)11-4-2-10(9-17)3-5-11/h6-8,10-11H,2-5,9,17H2,1H3,(H,18,19)
InChIKeyIKMATOFHZUSANK-UHFFFAOYSA-N
XLogP3.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide 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

2-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 82868300
N-(3-bromo-4-methoxyphenyl)cyclopentanecarboxamide
CID 110776805
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313
N-(3-bromo-4-methoxyphenyl)-4-hydroxycyclohexane-1-carboxamide
CID 115150743
4-(aminomethyl)-N-(4-fluoro-2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79526534
(2R,5S)-5-[(4-bromo-3-methoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945585
4-(aminomethyl)-N-[3-(dimethylamino)-4-methylphenyl]cyclohexane-1-carboxamide
CID 104963718
N-(3,4-dimethoxyphenyl)-4-methoxycyclohexane-1-carboxamide
CID 112521544
4-(aminomethyl)-N-(2,6-dibromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 79526653
4-amino-N-(3-chloro-4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928597
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
N-[4-(4-aminobutanoylamino)-2-methoxyphenyl]cyclopropanecarboxamide
CID 39193167

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide (CID 81488925) is 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide is COc1cc(NC(=O)C2CCC(CN)CC2)ccc1Br.
What is the InChIKey of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is IKMATOFHZUSANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-20-14-8-12(6-7-13(14)16)18-15(19)11-4-2-10(9-17)3-5-11/h6-8,10-11H,2-5,9,17H2,1H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide?
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 81488925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).