2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-
Basic information
- CAS
76450-91-4- Standard SMILES
CCCCN(Cc1ccccc1)CC(O)CN- InChIKey
BSDRQPMIUNUCHD-UHFFFAOYSA-N- Molecular formula
- C14H24N2O
- Average molar mass
- 236.35 g/mol
- Monoisotopic mass
- 236.18886339
Names & identifiers
- Preferred name
- 2-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-
- IUPAC
- 1-amino-3-[benzyl(butyl)amino]propan-2-ol
Names & synonyms
1-amino-3-[benzyl(butyl)amino]propan-2-ol76450-91-42-Propanol, 1-amino-3-[butyl(phenylmethyl)amino]-SCHEMBL11149069DTXSID50331093
Database identifiers
- CAS
76450-91-4- PubChem CID
- 435204
- DTXSID
DTXSID50331093
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 49.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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