1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone

C15H16N2O2 — CID 82482529

IUPAC1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
SMILESCOc1cccc(Nc2ccc(C(C)=O)cc2N)c1
InChIInChI=1S/C15H16N2O2/c1-10(18)11-6-7-15(14(16)8-11)17-12-4-3-5-13(9-12)19-2/h3-9,17H,16H2,1-2H3
InChIKeyUKIKEGHDWDJSFM-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.22
Rot. Bonds4

About 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone

1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone (PubChem CID 82482529) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
PubChem CID82482529
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone
SMILESCOc1cccc(Nc2ccc(C(C)=O)cc2N)c1
InChIInChI=1S/C15H16N2O2/c1-10(18)11-6-7-15(14(16)8-11)17-12-4-3-5-13(9-12)19-2/h3-9,17H,16H2,1-2H3
InChIKeyUKIKEGHDWDJSFM-UHFFFAOYSA-N
XLogP3.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-fluoro-3-(3-methoxyanilino)phenyl]ethanone
CID 82535316
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-N-(3-methoxyphenyl)pyridine-3,4-diamine
CID 29067426
3-amino-4-(3-bromo-5-methoxyanilino)benzamide
CID 82857398
3-amino-4-(3-ethoxyanilino)-N-methylbenzamide
CID 82991688
1-[3-amino-4-(3-methoxyphenoxy)phenyl]ethanone
CID 82132319
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
3-amino-4-(3,4-dimethoxyanilino)benzamide
CID 43448410
2-amino-5-(3-methoxyanilino)benzamide
CID 61307103
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone?
The IUPAC name of 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone (CID 82482529) is 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone.
What is the SMILES notation for 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone?
The canonical SMILES for 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone is COc1cccc(Nc2ccc(C(C)=O)cc2N)c1.
What is the InChIKey of 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone?
The InChIKey is UKIKEGHDWDJSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(18)11-6-7-15(14(16)8-11)17-12-4-3-5-13(9-12)19-2/h3-9,17H,16H2,1-2H3.
What are the key properties of 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone?
1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone has a molecular weight of 256.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(3-methoxyanilino)phenyl]ethanone is sourced from PubChem (CID 82482529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).