3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one

C16H17NO — CID 116605558

IUPAC3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C16H17NO/c1-12-4-2-3-5-15(12)16(18)11-8-13-6-9-14(17)10-7-13/h2-7,9-10H,8,11,17H2,1H3
InChIKeyXYOIWTLSYXCSRB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.39
Rot. Bonds4

About 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one

3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one (PubChem CID 116605558) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
PubChem CID116605558
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one
SMILESCc1ccccc1C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C16H17NO/c1-12-4-2-3-5-15(12)16(18)11-8-13-6-9-14(17)10-7-13/h2-7,9-10H,8,11,17H2,1H3
InChIKeyXYOIWTLSYXCSRB-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-aminophenyl)-1-(2-methylphenyl)propan-1-one
CID 116603454
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
1-(3-amino-2-methylphenyl)-3-phenylpropan-1-one
CID 116604350
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[2-(4-methoxyphenyl)ethyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110411613
ethyl 4-(2-methylphenyl)-4-oxobutanoate
CID 24727317
3-(4-aminophenyl)-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 115341658
3-(4-aminophenyl)-1-(3,5-difluorophenyl)propan-1-one
CID 116605567
1-[2-(2-aminoethyl)phenyl]-3-(4-methoxyphenyl)propan-1-one
CID 116577352
3-(4-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 28713065
N-[3-(4-hydroxyphenyl)propyl]-4-(2-methylphenyl)-4-oxobutanamide
CID 110612052

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one (CID 116605558) is 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one is Cc1ccccc1C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one?
The InChIKey is XYOIWTLSYXCSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-4-2-3-5-15(12)16(18)11-8-13-6-9-14(17)10-7-13/h2-7,9-10H,8,11,17H2,1H3.
What are the key properties of 3-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one?
3-(4-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-(4-aminophenyl)-1-(2-methylphenyl)propan-1-one is sourced from PubChem (CID 116605558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).