2-amino-1-(3-ethylphenyl)-2-phenylethanone

C16H17NO — CID 116551226

IUPAC2-amino-1-(3-ethylphenyl)-2-phenylethanone
SMILESCCc1cccc(C(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-2-12-7-6-10-14(11-12)16(18)15(17)13-8-4-3-5-9-13/h3-11,15H,2,17H2,1H3
InChIKeyOGICQJPHEQMGGU-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.13
Rot. Bonds4

About 2-amino-1-(3-ethylphenyl)-2-phenylethanone

2-amino-1-(3-ethylphenyl)-2-phenylethanone (PubChem CID 116551226) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-amino-1-(3-ethylphenyl)-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-(3-ethylphenyl)-2-phenylethanone
PubChem CID116551226
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-amino-1-(3-ethylphenyl)-2-phenylethanone
SMILESCCc1cccc(C(=O)C(N)c2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-2-12-7-6-10-14(11-12)16(18)15(17)13-8-4-3-5-9-13/h3-11,15H,2,17H2,1H3
InChIKeyOGICQJPHEQMGGU-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

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Related Compounds

2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 116551357
(2R)-2-amino-1-[3-(2-methylpropyl)phenyl]-2-phenylethanone
CID 104891234
2-amino-1-(3-ethylphenyl)propan-1-one
CID 57124216
3-amino-1-(3-ethylphenyl)-2-methylbutan-1-one
CID 116612270
2-bromo-1-(3-ethylphenyl)-2-hydroxyethanone
CID 21460946
3-ethylbenzoic acid;propane
CID 177324794
2-(aminomethyl)-1-(3-ethylphenyl)pentan-1-one
CID 116574550
2-amino-1-naphthalen-2-yl-2-phenylethanone
CID 116551211
3-amino-1-(3-ethylphenyl)pentan-1-one
CID 116609074
3-ethyl-N-methylbenzamide
CID 59115297
(2R)-2-bromo-1-(3-ethylphenyl)-2-pyridin-4-ylethanone
CID 99717827
3-(3-ethylphenyl)-3-oxopropanoic acid
CID 55267512

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethylphenyl)-2-phenylethanone?
The IUPAC name of 2-amino-1-(3-ethylphenyl)-2-phenylethanone (CID 116551226) is 2-amino-1-(3-ethylphenyl)-2-phenylethanone.
What is the SMILES notation for 2-amino-1-(3-ethylphenyl)-2-phenylethanone?
The canonical SMILES for 2-amino-1-(3-ethylphenyl)-2-phenylethanone is CCc1cccc(C(=O)C(N)c2ccccc2)c1.
What is the InChIKey of 2-amino-1-(3-ethylphenyl)-2-phenylethanone?
The InChIKey is OGICQJPHEQMGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-12-7-6-10-14(11-12)16(18)15(17)13-8-4-3-5-9-13/h3-11,15H,2,17H2,1H3.
What are the key properties of 2-amino-1-(3-ethylphenyl)-2-phenylethanone?
2-amino-1-(3-ethylphenyl)-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 2-amino-1-(3-ethylphenyl)-2-phenylethanone is sourced from PubChem (CID 116551226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).