2-(4-aminophenyl)-6-methylchromen-4-one

C16H13NO2 — CID 10999496

IUPAC2-(4-aminophenyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(N)cc3)cc(=O)c2c1
InChIInChI=1S/C16H13NO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-9H,17H2,1H3
InChIKeyBCMMIAHCWHQZDZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.35
Rot. Bonds1

About 2-(4-aminophenyl)-6-methylchromen-4-one

2-(4-aminophenyl)-6-methylchromen-4-one (PubChem CID 10999496) has the molecular formula C16H13NO2 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-6-methylchromen-4-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-6-methylchromen-4-one
PubChem CID10999496
Molecular FormulaC16H13NO2
Molecular Weight251.28 g/mol
Exact Mass251.09
IUPAC Name2-(4-aminophenyl)-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(N)cc3)cc(=O)c2c1
InChIInChI=1S/C16H13NO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-9H,17H2,1H3
InChIKeyBCMMIAHCWHQZDZ-UHFFFAOYSA-N
XLogP3.35
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-6-methylchromen-4-one 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-(4-aminophenyl)-6-chlorochromen-4-one
CID 82046480
6-amino-2-(3-methylphenyl)chromen-4-one
CID 18568648
4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
2-(4-aminophenyl)-6-propoxychromen-4-one
CID 82046490
2-(4-aminophenyl)-5,7-dimethylchromen-4-one
CID 82046479
6-(4-aminophenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
CID 82046503
N-(2-hydroxyethyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803168
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
6-chloro-2-(4-chlorophenyl)chromen-4-one
CID 688871

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-6-methylchromen-4-one?
The IUPAC name of 2-(4-aminophenyl)-6-methylchromen-4-one (CID 10999496) is 2-(4-aminophenyl)-6-methylchromen-4-one.
What is the SMILES notation for 2-(4-aminophenyl)-6-methylchromen-4-one?
The canonical SMILES for 2-(4-aminophenyl)-6-methylchromen-4-one is Cc1ccc2oc(-c3ccc(N)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-aminophenyl)-6-methylchromen-4-one?
The InChIKey is BCMMIAHCWHQZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-10-2-7-15-13(8-10)14(18)9-16(19-15)11-3-5-12(17)6-4-11/h2-9H,17H2,1H3.
What are the key properties of 2-(4-aminophenyl)-6-methylchromen-4-one?
2-(4-aminophenyl)-6-methylchromen-4-one has a molecular weight of 251.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-6-methylchromen-4-one is sourced from PubChem (CID 10999496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).