1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one

C19H23NO — CID 82100240

IUPAC1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-4-16-9-11-18(12-10-16)19(21)15(3)20-13-17-7-5-14(2)6-8-17/h5-12,15,20H,4,13H2,1-3H3
InChIKeyURYLAPJBJKGMHG-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.92
Rot. Bonds6

About 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one

1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one (PubChem CID 82100240) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
PubChem CID82100240
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C19H23NO/c1-4-16-9-11-18(12-10-16)19(21)15(3)20-13-17-7-5-14(2)6-8-17/h5-12,15,20H,4,13H2,1-3H3
InChIKeyURYLAPJBJKGMHG-UHFFFAOYSA-N
XLogP3.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N,N-diethyl-2-[(4-ethylphenyl)methylamino]propanamide
CID 43739384
2-(benzylamino)-1-(4-tert-butylphenyl)propan-1-one
CID 82100631
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82258073
4-[[1-(4-methylphenyl)-1-oxopropan-2-yl]amino]butanoic acid
CID 82100127

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one (CID 82100240) is 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one is CCc1ccc(C(=O)C(C)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one?
The InChIKey is URYLAPJBJKGMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-16-9-11-18(12-10-16)19(21)15(3)20-13-17-7-5-14(2)6-8-17/h5-12,15,20H,4,13H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one?
1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one has a molecular weight of 281.40 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one is sourced from PubChem (CID 82100240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).