1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone

C16H17NO — CID 116548661

IUPAC1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C16H17NO/c1-11-6-7-12(2)14(8-11)10-16(18)13-4-3-5-15(17)9-13/h3-9H,10,17H2,1-2H3
InChIKeyIPBSOMHPJYIBET-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.31
Rot. Bonds3

About 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone

1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone (PubChem CID 116548661) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
PubChem CID116548661
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone
SMILESCc1ccc(C)c(CC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C16H17NO/c1-11-6-7-12(2)14(8-11)10-16(18)13-4-3-5-15(17)9-13/h3-9H,10,17H2,1-2H3
InChIKeyIPBSOMHPJYIBET-UHFFFAOYSA-N
XLogP3.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.31
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

2-(3-aminophenyl)-1-(3-methylphenyl)ethanone
CID 116577163
2-(2,5-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 55186589
1-(2,3-dihydro-1H-inden-5-yl)-2-(2,5-dimethylphenyl)ethanone
CID 63491461
1-(2,6-dichlorophenyl)-2-(2,5-dimethylphenyl)ethanone
CID 55224701
2-(2,5-dimethylphenyl)-1-(4-fluorophenyl)ethanone
CID 54958156
2-(2,5-dimethylphenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 63527525
N-(3-aminophenyl)-2-(2,5-dimethylphenyl)-N-ethylacetamide
CID 63230005
2-(3-aminophenyl)-1-(4-methylphenyl)ethanone
CID 116577086
1-(3-aminophenyl)propan-1-one;propane
CID 145257024
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,5-dimethylphenyl)ethanone
CID 62538671
1-(3-chlorophenyl)-3-(2,5-dimethylphenyl)propan-1-one
CID 24726340

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone?
The IUPAC name of 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone (CID 116548661) is 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone.
What is the SMILES notation for 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone?
The canonical SMILES for 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone is Cc1ccc(C)c(CC(=O)c2cccc(N)c2)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone?
The InChIKey is IPBSOMHPJYIBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-7-12(2)14(8-11)10-16(18)13-4-3-5-15(17)9-13/h3-9H,10,17H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone?
1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone has a molecular weight of 239.32 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(2,5-dimethylphenyl)ethanone is sourced from PubChem (CID 116548661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).