1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one

C17H19FN2O — CID 82258109

IUPAC1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
SMILESCC(NCCc1ccc(F)cc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H19FN2O/c1-12(17(21)14-4-8-16(19)9-5-14)20-11-10-13-2-6-15(18)7-3-13/h2-9,12,20H,10-11,19H2,1H3
InChIKeyRNPMMSDKBUBXQI-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.81
Rot. Bonds6

About 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one

1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one (PubChem CID 82258109) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
PubChem CID82258109
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one
SMILESCC(NCCc1ccc(F)cc1)C(=O)c1ccc(N)cc1
InChIInChI=1S/C17H19FN2O/c1-12(17(21)14-4-8-16(19)9-5-14)20-11-10-13-2-6-15(18)7-3-13/h2-9,12,20H,10-11,19H2,1H3
InChIKeyRNPMMSDKBUBXQI-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxyphenyl)-2-[2-(4-hydroxyphenyl)ethylamino]propan-1-one;hydrate;hydrochloride
CID 3031074
(2S)-1-(4-hydroxyphenyl)-2-(2-phenylethylamino)propan-1-one
CID 69303201
2-[2-(dimethylamino)ethylamino]-1-(4-fluorophenyl)propan-1-one
CID 82100482
2-[2-(4-fluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 43112605
1-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]propan-1-one
CID 82100239
2-[2-(4-fluorophenyl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571284
2-[[1-(4-fluorophenyl)-1-oxopropan-2-yl]amino]acetic acid
CID 82100437
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
2-(benzylamino)-1-(4-fluorophenyl)propan-1-one
CID 82100447
(2S)-2-[2-(4-fluorophenyl)ethylamino]-3-methylpentanamide
CID 141217094
1-(4-aminophenyl)-2-(pyridin-4-ylmethylamino)propan-1-one
CID 82258073
2-(carbamoylamino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 18159154

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one (CID 82258109) is 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one is CC(NCCc1ccc(F)cc1)C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one?
The InChIKey is RNPMMSDKBUBXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-12(17(21)14-4-8-16(19)9-5-14)20-11-10-13-2-6-15(18)7-3-13/h2-9,12,20H,10-11,19H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one?
1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one has a molecular weight of 286.35 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[2-(4-fluorophenyl)ethylamino]propan-1-one is sourced from PubChem (CID 82258109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).