Basic information
- CAS
124415-67-4- Standard SMILES
CNC(Cc1ccccc1N)c1sccc1C- InChIKey
NYBKYOYUKBCNAB-UHFFFAOYSA-N- Molecular formula
- C14H18N2S
- Average molar mass
- 246.37 g/mol
- Monoisotopic mass
- 246.11906958
Overview
NMDA antagonist; structure given in first source
Names & identifiers
- Preferred name
- Compound 7189
- IUPAC
- 2-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]aniline
Names & synonyms
Compound 7189124415-67-4RefChem:1276462-[2-(methylamino)-2-(3-methylthiophen-2-yl)ethyl]anilineSCHEMBL8946017CHEMBL1195473DTXSID60924798NYBKYOYUKBCNAB-UHFFFAOYSA-Nalpha-((2-Aminophenyl)methyl)-N,3-dimethyl-2-thiophenemethanamine2-amino-N-methyl-alpha-(3-methyl-2thienyl)benzeneethanamine2-amino-N-methyl-alpha-(3-methyl-2-thienyl)benzeneethanamine2-Thiophenemethanamine, alpha-((2-aminophenyl)methyl)-N,3-dimethyl-
Database identifiers
- CAS
124415-67-4- PubChem CID
- 130176
- DTXSID
DTXSID60924798- ChEMBL
CHEMBL1195473
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Related reactions
19 records
Compound notes
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