1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone

C16H17NO2 — CID 79600219

IUPAC1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cccc(C)c2)cc1O
InChIInChI=1S/C16H17NO2/c1-11-5-4-6-13(9-11)17(3)14-7-8-15(12(2)18)16(19)10-14/h4-10,19H,1-3H3
InChIKeyVLMMIWDVHGTHQK-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.67
Rot. Bonds3

About 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone

1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone (PubChem CID 79600219) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
PubChem CID79600219
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(N(C)c2cccc(C)c2)cc1O
InChIInChI=1S/C16H17NO2/c1-11-5-4-6-13(9-11)17(3)14-7-8-15(12(2)18)16(19)10-14/h4-10,19H,1-3H3
InChIKeyVLMMIWDVHGTHQK-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-5-(N,3-dimethylanilino)phenyl]ethanone
CID 104612683
1-[4-(N-ethyl-3-fluoroanilino)-2-hydroxyphenyl]ethanone
CID 79600398
1-[5-(N,3-dimethylanilino)furan-2-yl]ethanone
CID 104651698
N-(4-methoxyphenyl)-N,3-dimethylaniline
CID 58090553
N-[4-(aminomethyl)phenyl]-N,3-dimethylaniline
CID 62001605
2,5-dihydroxy-N-methyl-N-(3-methylphenyl)benzamide
CID 103892363
1-[2-hydroxy-4-[methyl(pentyl)amino]phenyl]ethanone
CID 79600754
1-[2-hydroxy-4-[methyl(1-thiophen-2-ylethyl)amino]phenyl]ethanone
CID 79600580
3-hydroxy-4-methoxy-N-methyl-N-(3-methylphenyl)benzamide
CID 79726183
N-(3-methoxyphenyl)-N,3-dimethylaniline
CID 57317971
N-methyl-N-(3-methylphenyl)pyridin-4-amine
CID 89072633
1-[2-hydroxy-4-[5-hydroxypentyl(methyl)amino]phenyl]ethanone
CID 107200376

Frequently Asked Questions

What is the IUPAC name of 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone (CID 79600219) is 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone is CC(=O)c1ccc(N(C)c2cccc(C)c2)cc1O.
What is the InChIKey of 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone?
The InChIKey is VLMMIWDVHGTHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-5-4-6-13(9-11)17(3)14-7-8-15(12(2)18)16(19)10-14/h4-10,19H,1-3H3.
What are the key properties of 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone?
1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone has a molecular weight of 255.32 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(N,3-dimethylanilino)-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 79600219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).