Basic information
- Standard SMILES
OCCN(Cc1ccccc1)CC(O)CCl- InChIKey
MQHUHEMPIGZQAL-UHFFFAOYSA-N- Molecular formula
- C12H18ClNO2
- Average molar mass
- 243.73 g/mol
- Monoisotopic mass
- 243.1026065
Names & identifiers
- Preferred name
- 1-Chloro-3-[(2-hydroxyethyl)(phenylmethyl)amino]-2-propanol
- IUPAC
- 1-[benzyl(2-hydroxyethyl)amino]-3-chloropropan-2-ol
Names & synonyms
1-chloro-3-[(2-hydroxyethyl)(phenylmethyl)amino]-2-propanol174560-84-0SCHEMBL8321789MQHUHEMPIGZQAL-UHFFFAOYSA-N3-benzyl-6-chloro-3-azahexane-1,5-diolDB-191082
Database identifiers
- PubChem CID
- 16655568
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 43.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 174
Related reactions
2 records
Compound notes
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