2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one

C18H17NO2 — CID 82046563

IUPAC2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2oc(-c3ccc(C)c(N)c3)cc(=O)c2c1
InChIInChI=1S/C18H17NO2/c1-10-6-12(3)18-14(7-10)16(20)9-17(21-18)13-5-4-11(2)15(19)8-13/h4-9H,19H2,1-3H3
InChIKeyDIZOCPUGLVRXFS-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.97
Rot. Bonds1

About 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one

2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one (PubChem CID 82046563) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one
PubChem CID82046563
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one
SMILESCc1cc(C)c2oc(-c3ccc(C)c(N)c3)cc(=O)c2c1
InChIInChI=1S/C18H17NO2/c1-10-6-12(3)18-14(7-10)16(20)9-17(21-18)13-5-4-11(2)15(19)8-13/h4-9H,19H2,1-3H3
InChIKeyDIZOCPUGLVRXFS-UHFFFAOYSA-N
XLogP3.97
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2-(3-nitrophenyl)chromen-4-one
CID 733212
2,7-diamino-9H-xanthen-9-one
CID 2770072
6-methyl-2-(2-nitrophenyl)-4H-chromen-4-one
CID 10779180
6-Aminoflavone
CID 16217320
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
4'-Aminoflavone
CID 177048
4H-1-Benzopyran-4-one, 3-amino-2-(3-amino-4-methoxyphenyl)-
CID 154850
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-dimethylchromen-4-one
CID 10709180
2-(2-Aminophenyl)-6-methylchromen-4-one
CID 11107795
2-[(E)-2-(4-aminophenyl)ethenyl]-6-(125I)iodochromen-4-one
CID 16066780
3-[2-(3-Aminophenyl)ethynyl]xanthen-9-one
CID 44142358
6-[2-(3-Aminophenyl)ethynyl]-2-(3,5-dimethoxyphenyl)chromen-4-one
CID 44202172

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one?
The IUPAC name of 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one (CID 82046563) is 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one.
What is the SMILES notation for 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one?
The canonical SMILES for 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one is Cc1cc(C)c2oc(-c3ccc(C)c(N)c3)cc(=O)c2c1.
What is the InChIKey of 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one?
The InChIKey is DIZOCPUGLVRXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-10-6-12(3)18-14(7-10)16(20)9-17(21-18)13-5-4-11(2)15(19)8-13/h4-9H,19H2,1-3H3.
What are the key properties of 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one?
2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one has a molecular weight of 279.34 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylphenyl)-6,8-dimethylchromen-4-one is sourced from PubChem (CID 82046563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).