2-(4-aminophenyl)-1-(3-propylphenyl)ethanone

C17H19NO — CID 116549544

IUPAC2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO/c1-2-4-13-5-3-6-15(11-13)17(19)12-14-7-9-16(18)10-8-14/h3,5-11H,2,4,12,18H2,1H3
InChIKeyXGUXCKDMXFRDJO-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone

2-(4-aminophenyl)-1-(3-propylphenyl)ethanone (PubChem CID 116549544) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
PubChem CID116549544
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
SMILESCCCc1cccc(C(=O)Cc2ccc(N)cc2)c1
InChIInChI=1S/C17H19NO/c1-2-4-13-5-3-6-15(11-13)17(19)12-14-7-9-16(18)10-8-14/h3,5-11H,2,4,12,18H2,1H3
InChIKeyXGUXCKDMXFRDJO-UHFFFAOYSA-N
XLogP3.65
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylphenyl)-1-(3-propylphenyl)ethanone
CID 116543168
2-amino-1-(3-propylphenyl)ethanone
CID 116548428
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
CID 116549576
1-(3-propylphenyl)heptan-1-one
CID 115812204
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
CID 145137621
1-(3-propylphenyl)-2-pyridin-2-ylethanone
CID 116543105
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
1-(3-propylphenyl)-2-propylsulfanylethanone
CID 116543248
(3,5-dimethylphenyl)-(3-propylphenyl)methanone
CID 115811990
3-amino-3-cyclopropyl-1-(3-propylphenyl)propan-1-one
CID 116608801
methyl 3-propylbenzoate
CID 12861009

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone?
The IUPAC name of 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone (CID 116549544) is 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone.
What is the SMILES notation for 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone?
The canonical SMILES for 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone is CCCc1cccc(C(=O)Cc2ccc(N)cc2)c1.
What is the InChIKey of 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone?
The InChIKey is XGUXCKDMXFRDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-4-13-5-3-6-15(11-13)17(19)12-14-7-9-16(18)10-8-14/h3,5-11H,2,4,12,18H2,1H3.
What are the key properties of 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone?
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone has a molecular weight of 253.35 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(3-propylphenyl)ethanone is sourced from PubChem (CID 116549544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).