1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one

C16H17NO — CID 116604350

IUPAC1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1c(N)cccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H17NO/c1-12-14(8-5-9-15(12)17)16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11,17H2,1H3
InChIKeyYUQBJAFYYXRDEJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.39
Rot. Bonds4

About 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one

1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one (PubChem CID 116604350) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
PubChem CID116604350
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
SMILESCc1c(N)cccc1C(=O)CCc1ccccc1
InChIInChI=1S/C16H17NO/c1-12-14(8-5-9-15(12)17)16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11,17H2,1H3
InChIKeyYUQBJAFYYXRDEJ-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

1-(3-fluoro-2-methylphenyl)-3-phenylpropan-1-one
CID 146006893
1-[2-methyl-3-(trifluoromethyl)phenyl]-3-phenylpropan-1-one
CID 146009091
1-(3-amino-2-methylphenyl)-3-methylsulfonylpropan-1-one
CID 116604440
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116605558
3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
1-(2-methylsulfanylphenyl)-3-phenylpropan-1-one
CID 24725579
1-(2-amino-4-chlorophenyl)-3-phenylpropan-1-one
CID 64914807
1-(2,5-dimethylthiophen-3-yl)-3-phenylpropan-1-one
CID 43161377
N-(3-amino-2-methylphenyl)-4-phenylbutanamide
CID 28939602
1-(3-amino-2-methylphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 116604407

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one (CID 116604350) is 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one is Cc1c(N)cccc1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one?
The InChIKey is YUQBJAFYYXRDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-14(8-5-9-15(12)17)16(18)11-10-13-6-3-2-4-7-13/h2-9H,10-11,17H2,1H3.
What are the key properties of 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one?
1-(3-amino-2-methylphenyl)-3-phenylpropan-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 1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 116604350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).