3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one

C17H19NO — CID 116612692

IUPAC3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CC(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H19NO/c1-12-3-5-15(6-4-12)17(19)11-13(2)14-7-9-16(18)10-8-14/h3-10,13H,11,18H2,1-2H3
InChIKeyPARCEJWKBFIVLO-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.95
Rot. Bonds4

About 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one

3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one (PubChem CID 116612692) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
PubChem CID116612692
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CC(C)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H19NO/c1-12-3-5-15(6-4-12)17(19)11-13(2)14-7-9-16(18)10-8-14/h3-10,13H,11,18H2,1-2H3
InChIKeyPARCEJWKBFIVLO-UHFFFAOYSA-N
XLogP3.95
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-aminophenyl)-1-(2,4-dimethylphenyl)butan-1-one
CID 116612673
3-amino-1-(4-methylphenyl)butan-1-one
CID 55254036
3-(4-aminophenyl)-1-(1-propylpyrazol-4-yl)butan-1-one
CID 116612661
3-(4-aminophenyl)-1-(4-fluoro-2-methylphenyl)butan-1-one
CID 116612864
3-(4-aminophenyl)-1-(2,3-difluoro-4-methylphenyl)butan-1-one
CID 107515017
4-[4-(4-aminophenyl)hex-4-en-2-yl]aniline
CID 159376150
(2R)-2-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one
CID 95561132
(3S)-1-(4-methylphenyl)-3-[4-(6,6,6-trifluorohexoxy)phenyl]butan-1-one
CID 163520243
3-amino-1-(4-butan-2-ylphenyl)butan-1-one
CID 116915577
3-(4-aminophenyl)-1-(1,4-dimethylpyrazol-5-yl)butan-1-one
CID 112742466
3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
methyl (3S)-3-(4-methylphenyl)butanoate
CID 10511947

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one (CID 116612692) is 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one is Cc1ccc(C(=O)CC(C)c2ccc(N)cc2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
The InChIKey is PARCEJWKBFIVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-3-5-15(6-4-12)17(19)11-13(2)14-7-9-16(18)10-8-14/h3-10,13H,11,18H2,1-2H3.
What are the key properties of 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one?
3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one has a molecular weight of 253.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 116612692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).