[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone

C16H23NO — CID 116584561

IUPAC[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)C2CCCCC2CN)c1C
InChIInChI=1S/C16H23NO/c1-11-6-5-9-14(12(11)2)16(18)15-8-4-3-7-13(15)10-17/h5-6,9,13,15H,3-4,7-8,10,17H2,1-2H3
InChIKeyWMKQSVKKPQYYAW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.25
Rot. Bonds3

About [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone

[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone (PubChem CID 116584561) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
PubChem CID116584561
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone
SMILESCc1cccc(C(=O)C2CCCCC2CN)c1C
InChIInChI=1S/C16H23NO/c1-11-6-5-9-14(12(11)2)16(18)15-8-4-3-7-13(15)10-17/h5-6,9,13,15H,3-4,7-8,10,17H2,1-2H3
InChIKeyWMKQSVKKPQYYAW-UHFFFAOYSA-N
XLogP3.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)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

[2-(aminomethyl)cyclohexyl]-(2,3-dichlorophenyl)methanone
CID 116584564
[2-(aminomethyl)cyclohexyl]-(2-ethoxyphenyl)methanone
CID 116584488
cis-(1S,2R)-2-(2,3-dimethylbenzoyl)cyclopentane-1-carboxylic acid
CID 90476274
(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107186866
[2-(aminomethyl)cyclohexyl]-(2-amino-3-pyridinyl)methanone
CID 116584732
[2-(aminomethyl)cyclohexyl]-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756836
[2-(aminomethyl)azepan-1-yl]-(2,3-dimethylphenyl)methanone
CID 116640061
[2-(aminomethyl)cyclopentyl]-(1-benzothiophen-7-yl)methanone
CID 116584292
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
[2-(aminomethyl)cyclohexyl]-(5-fluoro-2-methoxyphenyl)methanone
CID 116584688
[2-(aminomethyl)cyclohexyl]-(2-fluoro-4-methoxyphenyl)methanone
CID 103397138

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone (CID 116584561) is [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone is Cc1cccc(C(=O)C2CCCCC2CN)c1C.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone?
The InChIKey is WMKQSVKKPQYYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-6-5-9-14(12(11)2)16(18)15-8-4-3-7-13(15)10-17/h5-6,9,13,15H,3-4,7-8,10,17H2,1-2H3.
What are the key properties of [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone?
[2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone has a molecular weight of 245.37 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 116584561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).