1-[2-[benzyl(methyl)amino]phenyl]propan-1-one

C17H19NO — CID 112677258

IUPAC1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-3-17(19)15-11-7-8-12-16(15)18(2)13-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3
InChIKeyQZNLHWJNYZNRJV-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one

1-[2-[benzyl(methyl)amino]phenyl]propan-1-one (PubChem CID 112677258) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
PubChem CID112677258
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[2-[benzyl(methyl)amino]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1N(C)Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-3-17(19)15-11-7-8-12-16(15)18(2)13-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3
InChIKeyQZNLHWJNYZNRJV-UHFFFAOYSA-N
XLogP3.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-methoxyphenyl)methyl-methylamino]phenyl]propan-1-one
CID 115994566
1-[2-(dibenzylamino)phenyl]propan-1-one
CID 174718965
2-[benzyl(methyl)amino]-N-ethylbenzamide
CID 67523896
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]phenyl]propan-1-one
CID 112677354
3-(N-methyl-2-propanoylanilino)propanenitrile
CID 112677271
2-amino-3-[benzyl(methyl)amino]benzamide
CID 115544396
1-[2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]phenyl]propan-1-one
CID 112677450
4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid
CID 60979283
1-[2-[(4-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 60699051
methyl 2-[(4-methoxyphenyl)methyl-methylamino]benzoate
CID 62028058
1-[2-[(3-bromophenyl)methyl-methylamino]phenyl]ethanone
CID 61416058
2-(N-methyl-2-propanoylanilino)benzonitrile
CID 115994661

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one?
The IUPAC name of 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one (CID 112677258) is 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one is CCC(=O)c1ccccc1N(C)Cc1ccccc1.
What is the InChIKey of 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one?
The InChIKey is QZNLHWJNYZNRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-17(19)15-11-7-8-12-16(15)18(2)13-14-9-5-4-6-10-14/h4-12H,3,13H2,1-2H3.
What are the key properties of 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one?
1-[2-[benzyl(methyl)amino]phenyl]propan-1-one has a molecular weight of 253.34 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl(methyl)amino]phenyl]propan-1-one is sourced from PubChem (CID 112677258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).