3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one

C16H17NO — CID 116603454

IUPAC3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H17NO/c1-12-5-2-3-8-15(12)16(18)10-9-13-6-4-7-14(17)11-13/h2-8,11H,9-10,17H2,1H3
InChIKeyXMYFQJJLXVXUEM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.39
Rot. Bonds4

About 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one

3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one (PubChem CID 116603454) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
PubChem CID116603454
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCc1cccc(N)c1
InChIInChI=1S/C16H17NO/c1-12-5-2-3-8-15(12)16(18)10-9-13-6-4-7-14(17)11-13/h2-8,11H,9-10,17H2,1H3
InChIKeyXMYFQJJLXVXUEM-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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-methylphenyl)propan-1-one
CID 116605558
3-(3-aminophenyl)-1-(2-propan-2-yloxyphenyl)propan-1-one
CID 116603294
N-[4-[3-(3-aminophenyl)propanoylamino]phenyl]-2-methylbenzamide
CID 54795617
3-(3-aminophenyl)-1-(2-amino-3-pyridinyl)propan-1-one
CID 116603498
3-[2-(2-methylphenyl)prop-2-enyl]aniline
CID 143547599
3-(3-aminophenyl)-1-(1-benzothiophen-7-yl)propan-1-one
CID 116603355
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
3-(3-aminophenyl)-1-isoquinolin-8-ylpropan-1-one
CID 103133503
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
1-(2,5-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725684
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one (CID 116603454) is 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one?
The InChIKey is XMYFQJJLXVXUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-5-2-3-8-15(12)16(18)10-9-13-6-4-7-14(17)11-13/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one?
3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 116603454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).