1-(3-Trifluoromethylphenyl)-2-(2-carboxymethyl)aminopropane
Basic information
- CAS
61471-64-5- Standard SMILES
CC(Cc1cccc(C(F)(F)F)c1)NCC(=O)O- InChIKey
NCUBLDCIXRNHSQ-UHFFFAOYSA-N- Molecular formula
- C12H14F3NO2
- Average molar mass
- 261.24 g/mol
- Monoisotopic mass
- 261.09766318
Overview
a metabolite of benfluorex; structure given in first source
Names & identifiers
- Preferred name
- 1-(3-Trifluoromethylphenyl)-2-(2-carboxymethyl)aminopropane
- IUPAC
- 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetic acid
- English name
- 1-(3-trifluoromethylphenyl)-2-(2-carboxymethyl)aminopropane
- Molecular formula
- C12H14F3NO2
- Molecular weight
- 261.24
Names & synonyms
61471-64-5S-14751-(3-TRIFLUOROMETHYLPHENYL)-2-(2-CARBOXYMETHYL)AMINOPROPANEs1475RefChem:74349(alpha-Methyl-m-trifluoromethylphenethylamino)acetic acidGlycine,N-[1-methyl-2-[3-(trifluoromethyl)-phenyl]ethyl]2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetic acid2-({1-[3-(trifluoromethyl)phenyl]propan-2-yl}amino)acetic acid2-((1-(3-(Trifluoromethyl)phenyl)propan-2-yl)amino)acetic acidBRN 2419143Glycine, N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-
Show more names
(α-Methyl-m-trifluoromethylphenethylamino)acetic acid
S 1475SCHEMBL28728482DTXSID50977036NCUBLDCIXRNHSQ-UHFFFAOYSA-NACETIC ACID, (alpha-METHYL-m-TRIFLUOROMETHYLPHENETHYLAMINO)-MFCD01672561AKOS028108427AS-70073
Database identifiers
- CAS
61471-64-5- PubChem CID
- 43670
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 281
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Related reactions
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Compound notes
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