N-(1-Methylethyl)-2-(phenylthio)benzenemethanamine
Basic information
- CAS
500998-00-5- Standard SMILES
CC(C)NCc1ccccc1Sc1ccccc1- InChIKey
GUAKCGHORPAWJL-UHFFFAOYSA-N- Molecular formula
- C16H19NS
- Average molar mass
- 257.4 g/mol
- Monoisotopic mass
- 257.12382078
Names & identifiers
- Preferred name
- N-(1-Methylethyl)-2-(phenylthio)benzenemethanamine
- IUPAC
- N-[(2-phenylsulfanylphenyl)methyl]propan-2-amine
Names & synonyms
N-(1-Methylethyl)-2-(phenylthio)benzenemethanamineSCHEMBL11752847DTXSID701230635AKOS013117265500998-00-5N-{[2-(Phenylsulfanyl)phenyl]methyl}propan-2-amine
Database identifiers
- CAS
500998-00-5- PubChem CID
- 429897
- DTXSID
DTXSID701230635
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
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Compound notes
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