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

C16H17NO — CID 145137621

IUPAC1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
SMILESCCc1cccc(CC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H17NO/c1-2-12-4-3-5-13(10-12)11-16(18)14-6-8-15(17)9-7-14/h3-10H,2,11,17H2,1H3
InChIKeyFMNHPWIHPZSLOC-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.26
Rot. Bonds4

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

1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone (PubChem CID 145137621) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
PubChem CID145137621
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone
SMILESCCc1cccc(CC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C16H17NO/c1-2-12-4-3-5-13(10-12)11-16(18)14-6-8-15(17)9-7-14/h3-10H,2,11,17H2,1H3
InChIKeyFMNHPWIHPZSLOC-UHFFFAOYSA-N
XLogP3.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.26
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

(4-aminophenyl)-(3-ethylphenyl)methanone
CID 116548793
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
2-(3-bromophenyl)-1-(4-ethylphenyl)ethanone
CID 60797716
1-(4-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 63411308
1-[3-acetyl-5-[2-(3-ethylphenyl)acetyl]phenyl]-2-phenylethanone;aniline;benzene-1,3-diamine;benzene-1,3,5-tricarbonyl chloride
CID 160908456
1-(4-ethylphenyl)-2-phenylethanone
CID 2758882
1-(4-aminophenyl)-2-[5-[2-(4-aminophenyl)-2-oxoethyl]-2,4-dihydroxyphenyl]ethanone
CID 158513452
2-(4-aminophenyl)-1-(3-propylphenyl)ethanone
CID 116549544
1-phenyl-2-(3-propylphenyl)ethanone
CID 152762612
2-(3-aminophenyl)acetic acid;ethyl 4-aminobenzoate
CID 70629829
1-(4-aminophenyl)propan-1-one
CID 6270
2-[3-[2-(3-phenacylphenyl)ethyl]phenyl]-1-phenylethanone
CID 10740738

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone?
The IUPAC name of 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone (CID 145137621) is 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone.
What is the SMILES notation for 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone?
The canonical SMILES for 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone is CCc1cccc(CC(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone?
The InChIKey is FMNHPWIHPZSLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-12-4-3-5-13(10-12)11-16(18)14-6-8-15(17)9-7-14/h3-10H,2,11,17H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone?
1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(3-ethylphenyl)ethanone is sourced from PubChem (CID 145137621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).