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

C16H18N2O — CID 104612683

IUPAC1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
SMILESCC(=O)c1cc(N(C)c2cccc(C)c2)ccc1N
InChIInChI=1S/C16H18N2O/c1-11-5-4-6-13(9-11)18(3)14-7-8-16(17)15(10-14)12(2)19/h4-10H,17H2,1-3H3
InChIKeyGCIZCNQZDVWPHT-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.55
Rot. Bonds3

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

1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone (PubChem CID 104612683) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
PubChem CID104612683
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
SMILESCC(=O)c1cc(N(C)c2cccc(C)c2)ccc1N
InChIInChI=1S/C16H18N2O/c1-11-5-4-6-13(9-11)18(3)14-7-8-16(17)15(10-14)12(2)19/h4-10H,17H2,1-3H3
InChIKeyGCIZCNQZDVWPHT-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.55
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

1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
CID 79600219
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309
1-[2-amino-5-[4-(dimethylamino)anilino]phenyl]ethanone
CID 104612418
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone
CID 104651698
1-[2-amino-5-[(2-methoxyphenyl)methyl-methylamino]phenyl]ethanone
CID 104612473
3-bromo-5-(N,3-dimethylanilino)benzoic acid
CID 102822791
1-[2-amino-5-[methyl(pentan-2-yl)amino]phenyl]ethanone
CID 104612387
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
CID 107195569
1-[2-amino-5-[(4-ethylphenyl)methyl-methylamino]phenyl]ethanone
CID 104612404

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone?
The IUPAC name of 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone (CID 104612683) is 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone is CC(=O)c1cc(N(C)c2cccc(C)c2)ccc1N.
What is the InChIKey of 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone?
The InChIKey is GCIZCNQZDVWPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-5-4-6-13(9-11)18(3)14-7-8-16(17)15(10-14)12(2)19/h4-10H,17H2,1-3H3.
What are the key properties of 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone?
1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone has a molecular weight of 254.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone is sourced from PubChem (CID 104612683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).