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

C18H20FNO — CID 82100239

IUPAC1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-3-14-4-8-16(9-5-14)18(21)13(2)20-12-15-6-10-17(19)11-7-15/h4-11,13,20H,3,12H2,1-2H3
InChIKeyJZVINJLCDOEMMA-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.75
Rot. Bonds6

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

1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one (PubChem CID 82100239) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
PubChem CID82100239
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
SMILESCCc1ccc(C(=O)C(C)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FNO/c1-3-14-4-8-16(9-5-14)18(21)13(2)20-12-15-6-10-17(19)11-7-15/h4-11,13,20H,3,12H2,1-2H3
InChIKeyJZVINJLCDOEMMA-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylphenyl)-2-[(4-methylphenyl)methylamino]propan-1-one
CID 82100240
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
2-[(4-fluorophenyl)methylamino]-N-propan-2-ylpropanamide
CID 43084839
N,N-diethyl-2-[(4-fluorophenyl)methylamino]propanamide
CID 43112620
1-(4-ethylphenyl)-2-(2-methoxyethylamino)propan-1-one
CID 82100246
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100437
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
(2S)-2-(benzylamino)-1-(4-methylphenyl)propan-1-one;hydrochloride
CID 155254846
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)propan-1-one
CID 82100112
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
CID 82258109

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one?
The IUPAC name of 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one (CID 82100239) is 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one.
What is the SMILES notation for 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one?
The canonical SMILES for 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one is CCc1ccc(C(=O)C(C)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one?
The InChIKey is JZVINJLCDOEMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-3-14-4-8-16(9-5-14)18(21)13(2)20-12-15-6-10-17(19)11-7-15/h4-11,13,20H,3,12H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one?
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one has a molecular weight of 285.36 g/mol, XLogP of 3.75, 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-fluorophenyl)methylamino]propan-1-one is sourced from PubChem (CID 82100239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).