1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone

C15H22N2O — CID 104528374

IUPAC1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O/c1-11(18)14-8-7-13(9-15(14)16)17-10-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10,16H2,1H3
InChIKeyYTNILQNOGLFGID-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone

1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone (PubChem CID 104528374) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
PubChem CID104528374
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NCC2CCCCC2)cc1N
InChIInChI=1S/C15H22N2O/c1-11(18)14-8-7-13(9-15(14)16)17-10-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10,16H2,1H3
InChIKeyYTNILQNOGLFGID-UHFFFAOYSA-N
XLogP3.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[2-amino-4-(cyclohexylmethylamino)phenyl]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

2-amino-4-(cyclopropylmethylamino)-N,N-diethylbenzamide
CID 141057152
1-[2-amino-5-(thian-4-ylmethylamino)phenyl]ethanone
CID 113487267
1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
CID 106119986
1-[2-amino-4-(1-cyclopentylethylamino)phenyl]ethanone
CID 104528885
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
4-(cyclohexylmethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709782
1-N-(cyclohexylmethyl)-4-nitrobenzene-1,3-diamine
CID 106748968
2-amino-4-[(2-methylcyclohexyl)methylamino]benzoic acid
CID 104500472
ethyl 2-(4-acetyl-3-aminoanilino)acetate
CID 104528454
N-[5-(cyclohexylmethylamino)-2-fluorophenyl]acetamide
CID 54862921
1-[2-amino-4-(3-methylbut-2-enylamino)phenyl]ethanone
CID 106182629
N-[5-(cyclopentylmethylamino)-2-fluorophenyl]acetamide
CID 62069998

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone (CID 104528374) is 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone is CC(=O)c1ccc(NCC2CCCCC2)cc1N.
What is the InChIKey of 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone?
The InChIKey is YTNILQNOGLFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(18)14-8-7-13(9-15(14)16)17-10-12-5-3-2-4-6-12/h7-9,12,17H,2-6,10,16H2,1H3.
What are the key properties of 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone?
1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(cyclohexylmethylamino)phenyl]ethanone is sourced from PubChem (CID 104528374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).