1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one

C19H23NO — CID 39381681

IUPAC1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C19H23NO/c1-4-20(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)19(21)15(2)3/h5-13,15H,4,14H2,1-3H3
InChIKeySAPFVTTUOUWAKZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.55
Rot. Bonds6

About 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one

1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one (PubChem CID 39381681) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
PubChem CID39381681
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C19H23NO/c1-4-20(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)19(21)15(2)3/h5-13,15H,4,14H2,1-3H3
InChIKeySAPFVTTUOUWAKZ-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[benzyl(ethyl)amino]phenyl]-3-phenylurea
CID 112982864
2-amino-3-[4-[benzyl(ethyl)amino]phenyl]propanoic acid
CID 170880297
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
methyl N-[4-[benzyl(ethyl)amino]phenyl]carbamate
CID 112982866
4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide
CID 119433593
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
N-[4-[benzyl(ethyl)amino]phenyl]-2-(3-fluorophenyl)acetamide
CID 112982863
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
N-benzyl-4-(bromomethyl)-N-ethylaniline
CID 107079787
3-(N-ethylanilino)-2-methyl-1-phenylpropan-1-one
CID 62611635
CID 167448036
CID 167448036
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251

Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one (CID 39381681) is 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one is CCN(Cc1ccccc1)c1ccc(C(=O)C(C)C)cc1.
What is the InChIKey of 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one?
The InChIKey is SAPFVTTUOUWAKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-20(14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)19(21)15(2)3/h5-13,15H,4,14H2,1-3H3.
What are the key properties of 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one?
1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one has a molecular weight of 281.40 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(ethyl)amino]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 39381681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).