1-[4-(1-phenylpropylamino)phenyl]ethanone

C17H19NO — CID 114468209

IUPAC1-[4-(1-phenylpropylamino)phenyl]ethanone
SMILESCCC(Nc1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-17(15-7-5-4-6-8-15)18-16-11-9-14(10-12-16)13(2)19/h4-12,17-18H,3H2,1-2H3
InChIKeyOSXOETDJRCBTDN-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.45
Rot. Bonds5

About 1-[4-(1-phenylpropylamino)phenyl]ethanone

1-[4-(1-phenylpropylamino)phenyl]ethanone (PubChem CID 114468209) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-[4-(1-phenylpropylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(1-phenylpropylamino)phenyl]ethanone
PubChem CID114468209
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name1-[4-(1-phenylpropylamino)phenyl]ethanone
SMILESCCC(Nc1ccc(C(C)=O)cc1)c1ccccc1
InChIInChI=1S/C17H19NO/c1-3-17(15-7-5-4-6-8-15)18-16-11-9-14(10-12-16)13(2)19/h4-12,17-18H,3H2,1-2H3
InChIKeyOSXOETDJRCBTDN-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-phenylpropylamino)phenol
CID 43742837
4-[1-(4-bromophenyl)propylamino]benzoic acid
CID 43321634
4-[1-(3-chlorophenyl)propylamino]benzoic acid
CID 43321653
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
4-[1-(2-hydroxyphenyl)propylamino]benzoic acid
CID 43321630
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
4-methyl-N-[1-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]propyl]aniline
CID 122484978
4-(4-nitroanilino)-4-phenylbutan-2-one
CID 14644789
3-(4-bromoanilino)-1-(4-bromophenyl)-3-phenylpropan-1-one
CID 15731336
2-(4-acetylanilino)-3-methoxypropanoic acid
CID 112518179
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenylpropylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(1-phenylpropylamino)phenyl]ethanone (CID 114468209) is 1-[4-(1-phenylpropylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(1-phenylpropylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(1-phenylpropylamino)phenyl]ethanone is CCC(Nc1ccc(C(C)=O)cc1)c1ccccc1.
What is the InChIKey of 1-[4-(1-phenylpropylamino)phenyl]ethanone?
The InChIKey is OSXOETDJRCBTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-17(15-7-5-4-6-8-15)18-16-11-9-14(10-12-16)13(2)19/h4-12,17-18H,3H2,1-2H3.
What are the key properties of 1-[4-(1-phenylpropylamino)phenyl]ethanone?
1-[4-(1-phenylpropylamino)phenyl]ethanone has a molecular weight of 253.34 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenylpropylamino)phenyl]ethanone is sourced from PubChem (CID 114468209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).