1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone

C16H18N2O — CID 104528323

IUPAC1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C)cc(C)c2)cc1N
InChIInChI=1S/C16H18N2O/c1-10-6-11(2)8-14(7-10)18-13-4-5-15(12(3)19)16(17)9-13/h4-9,18H,17H2,1-3H3
InChIKeyUPPMUUWQXKHERB-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.83
Rot. Bonds3

About 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone

1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone (PubChem CID 104528323) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
PubChem CID104528323
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone
SMILESCC(=O)c1ccc(Nc2cc(C)cc(C)c2)cc1N
InChIInChI=1S/C16H18N2O/c1-10-6-11(2)8-14(7-10)18-13-4-5-15(12(3)19)16(17)9-13/h4-9,18H,17H2,1-3H3
InChIKeyUPPMUUWQXKHERB-UHFFFAOYSA-N
XLogP3.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-4-(3-fluoroanilino)phenyl]ethanone
CID 104528314
4-(4-acetyl-3-aminoanilino)benzonitrile
CID 104528321
1-[2-amino-4-(3-ethylanilino)phenyl]ethanone
CID 104528330
1-[2-amino-4-(2,6-difluoroanilino)phenyl]ethanone
CID 104528342
1-[2-amino-4-(4-butylanilino)phenyl]ethanone
CID 104528379
1-[2-amino-4-(4-bromo-2,5-difluoroanilino)phenyl]ethanone
CID 107609078
1-[2-amino-4-(2-hydroxyethylamino)phenyl]ethanone
CID 104528257
1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
CID 104612316
1-[2-amino-5-(4-fluoro-3-methylanilino)phenyl]ethanone
CID 104612747
1-N-(3-bromo-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 107581891
ethyl 2-(4-acetyl-3-aminoanilino)acetate
CID 104528454
2-amino-4-(4-bromoanilino)benzoic acid
CID 104500151

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone (CID 104528323) is 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone is CC(=O)c1ccc(Nc2cc(C)cc(C)c2)cc1N.
What is the InChIKey of 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone?
The InChIKey is UPPMUUWQXKHERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10-6-11(2)8-14(7-10)18-13-4-5-15(12(3)19)16(17)9-13/h4-9,18H,17H2,1-3H3.
What are the key properties of 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone?
1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(3,5-dimethylanilino)phenyl]ethanone is sourced from PubChem (CID 104528323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).