3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one

C16H17NO — CID 117351467

IUPAC3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN)cc1-c1ccccc1
InChIInChI=1S/C16H17NO/c1-12-7-8-14(16(18)9-10-17)11-15(12)13-5-3-2-4-6-13/h2-8,11H,9-10,17H2,1H3
InChIKeyKEOOSWFOAOTZET-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.19
Rot. Bonds4

About 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one

3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one (PubChem CID 117351467) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one
PubChem CID117351467
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCN)cc1-c1ccccc1
InChIInChI=1S/C16H17NO/c1-12-7-8-14(16(18)9-10-17)11-15(12)13-5-3-2-4-6-13/h2-8,11H,9-10,17H2,1H3
InChIKeyKEOOSWFOAOTZET-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one 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

3-amino-1-(3-chloro-4-methylphenyl)propan-1-one
CID 107561222
2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 82117119
4-amino-1-(3,4-dimethylphenyl)butan-1-one
CID 55267484
3-amino-1-(4-ethyl-3-methylphenyl)propan-1-one
CID 117282618
7-amino-1-(3,4-dimethylphenyl)heptan-1-one
CID 116551492
N-(2-aminoethyl)-4-(3,4-dimethylphenyl)-4-oxobutanamide
CID 108796690
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915436
6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
CID 116581624
1-(4-methoxy-3-phenylphenyl)-5-phenylpentan-1-one
CID 24989559
2,5-dimethyl-4-phenylbenzamide
CID 174491618
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[4-methyl-3-(4-phenylphenyl)phenyl]methanamine
CID 105408962

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one (CID 117351467) is 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one is Cc1ccc(C(=O)CCN)cc1-c1ccccc1.
What is the InChIKey of 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one?
The InChIKey is KEOOSWFOAOTZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-7-8-14(16(18)9-10-17)11-15(12)13-5-3-2-4-6-13/h2-8,11H,9-10,17H2,1H3.
What are the key properties of 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one?
3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-methyl-3-phenylphenyl)propan-1-one is sourced from PubChem (CID 117351467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).