1-[2-(1-aminoethyl)phenyl]-2-phenylethanone

C16H17NO — CID 68934051

IUPAC1-[2-(1-aminoethyl)phenyl]-2-phenylethanone
SMILESCC(N)c1ccccc1C(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-12(17)14-9-5-6-10-15(14)16(18)11-13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3
InChIKeySYOOYCUFBRMMBD-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.13
Rot. Bonds4

About 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone

1-[2-(1-aminoethyl)phenyl]-2-phenylethanone (PubChem CID 68934051) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)phenyl]-2-phenylethanone
PubChem CID68934051
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-[2-(1-aminoethyl)phenyl]-2-phenylethanone
SMILESCC(N)c1ccccc1C(=O)Cc1ccccc1
InChIInChI=1S/C16H17NO/c1-12(17)14-9-5-6-10-15(14)16(18)11-13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3
InChIKeySYOOYCUFBRMMBD-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone 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

methyl 2-[(1S)-1-aminoethyl]benzoate
CID 130987830
1-(2-amino-3-methylphenyl)-2-phenylethanone
CID 68579137
2-phenylmethoxy-1-(2-propan-2-ylphenyl)ethanone
CID 146007162
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
2-(1-amino-2-hydroxypropyl)benzoic acid
CID 55269220
1-(2-isocyanatophenyl)-2-phenylethanone
CID 169352495
3-(1-aminoethyl)-2-ethylbenzoic acid
CID 55295988
1-(2-fluoro-5-propan-2-ylphenyl)-2-phenylethanone
CID 83988494
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
N-tert-butyl-2-(2-phenylacetyl)benzamide
CID 15197823
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
(2S)-2-amino-3-methylbutanoic acid;2-phenylacetic acid
CID 67721375

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone?
The IUPAC name of 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone (CID 68934051) is 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone?
The canonical SMILES for 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone is CC(N)c1ccccc1C(=O)Cc1ccccc1.
What is the InChIKey of 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone?
The InChIKey is SYOOYCUFBRMMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-12(17)14-9-5-6-10-15(14)16(18)11-13-7-3-2-4-8-13/h2-10,12H,11,17H2,1H3.
What are the key properties of 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone?
1-[2-(1-aminoethyl)phenyl]-2-phenylethanone has a molecular weight of 239.32 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)phenyl]-2-phenylethanone is sourced from PubChem (CID 68934051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).