N-Benzyl-2-(4-chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine
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Basic information
- CAS
80154-73-0- Standard SMILES
Clc1ccc(CC(NCc2ccccc2)c2cccs2)cc1- InChIKey
BYMAZHUWLAFXFI-UHFFFAOYSA-N- Molecular formula
- C19H18ClNS
- Average molar mass
- 327.9 g/mol
- Monoisotopic mass
- 327.0848484
Names & identifiers
- Preferred name
- N-Benzyl-2-(4-chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine
- IUPAC
- N-benzyl-2-(4-chlorophenyl)-1-thiophen-2-ylethanamine
- English name
- alpha-((4-Chlorophenyl)methyl)-N-(phenylmethyl)thiophenemethanamine
- Molecular formula
- C19H18ClNS
- Molecular weight
- 327.87
Names & synonyms
80154-73-0DTXSID301001016N-Benzyl-2-(4-chlorophenyl)-1-(thiophen-2-yl)ethan-1-amineRefChem:1091571DTXCID101427973BRN 5969912alpha-((4-Chlorophenyl)methyl)-N-(phenylmethyl)thiophenemethanamineThiophenemethanamine, alpha-((4-chlorophenyl)methyl)-N-(phenylmethyl)-2-Thiophenemethanamine, α-[(4-chlorophenyl)methyl]-N-(phenylmethyl)-
Database identifiers
- CAS
80154-73-0- PubChem CID
- 3062006
- DTXSID
DTXSID301001016
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 40.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 439.1 · 439.1±40.0 °C(Predicted)
- Density
- 1.209 · 1.209±0.06 g/cm3(Predicted)
- pka
- 7.73 · 7.73±0.29(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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