[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone

C15H21NO — CID 116600553

IUPAC[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(CN)CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)14(17)15(11-16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3
InChIKeyZUFMTDHPZOWNMW-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.09
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone

[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone (PubChem CID 116600553) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
PubChem CID116600553
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2(CN)CCCCC2)cc1
InChIInChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)14(17)15(11-16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3
InChIKeyZUFMTDHPZOWNMW-UHFFFAOYSA-N
XLogP3.09
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone 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-(aminomethyl)cyclopropyl]-(4-methylphenyl)methanone
CID 116601146
[1-(aminomethyl)cyclobutyl]-(4-chlorophenyl)methanone
CID 116600291
[1-(aminomethyl)cycloheptyl]-(3,4-difluorophenyl)methanone
CID 116602023
[1-(aminomethyl)cycloheptyl]-(3,5-dimethoxyphenyl)methanone
CID 116602135
[1-(aminomethyl)cyclobutyl]-phenylmethanone
CID 116600332
[1-(aminomethyl)cyclohexyl]-(2-methylquinolin-6-yl)methanone
CID 116600622
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
[1-(aminomethyl)cyclopropyl]-(4-propan-2-ylphenyl)methanone
CID 116601363
[1-(aminomethyl)cyclohexyl]-(2,3-difluoro-4-methylphenyl)methanone
CID 107514977
[1-(aminomethyl)cyclopentyl]-(1-methylpyrazol-4-yl)methanone
CID 116600837
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
[1-(aminomethyl)cyclohexyl]-(4-methyl-3-pyridinyl)methanone
CID 116600758

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone (CID 116600553) is [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2(CN)CCCCC2)cc1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone?
The InChIKey is ZUFMTDHPZOWNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-5-7-13(8-6-12)14(17)15(11-16)9-3-2-4-10-15/h5-8H,2-4,9-11,16H2,1H3.
What are the key properties of [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone?
[1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone has a molecular weight of 231.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]-(4-methylphenyl)methanone is sourced from PubChem (CID 116600553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).