1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone

C15H21NO — CID 116579919

IUPAC1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1CCCCC1N
InChIInChI=1S/C15H21NO/c1-11-6-2-3-7-12(11)10-15(17)13-8-4-5-9-14(13)16/h2-3,6-7,13-14H,4-5,8-10,16H2,1H3
InChIKeyCMFXEDCNIQYWPE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.62
Rot. Bonds3

About 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone

1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone (PubChem CID 116579919) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
PubChem CID116579919
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone
SMILESCc1ccccc1CC(=O)C1CCCCC1N
InChIInChI=1S/C15H21NO/c1-11-6-2-3-7-12(11)10-15(17)13-8-4-5-9-14(13)16/h2-3,6-7,13-14H,4-5,8-10,16H2,1H3
InChIKeyCMFXEDCNIQYWPE-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone 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-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
1-(2-aminocyclohexyl)-2-phenylethanone
CID 116579753
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-(2-aminocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 116579985
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
1-(2-aminocyclohexyl)-2-(4-propan-2-ylphenyl)ethanone
CID 116579990
1-(2-aminocyclohexyl)-2-(2,5-dichlorophenyl)ethanone
CID 116579933
1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
CID 116584924
1-(2-aminocyclohexyl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 114863391
1-(2-aminocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116579981
N-(2-aminocyclopropyl)-2-(2-methylphenyl)acetamide
CID 43593844

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone (CID 116579919) is 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone is Cc1ccccc1CC(=O)C1CCCCC1N.
What is the InChIKey of 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone?
The InChIKey is CMFXEDCNIQYWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-6-2-3-7-12(11)10-15(17)13-8-4-5-9-14(13)16/h2-3,6-7,13-14H,4-5,8-10,16H2,1H3.
What are the key properties of 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone?
1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone has a molecular weight of 231.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 116579919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).