N-Isobutyl-1,2-diphenylethanolamine
Basic information
- CAS
108935-64-4- Standard SMILES
CC(C)CNC(c1ccccc1)C(O)c1ccccc1- InChIKey
AFUDNVRZGPHSQO-UHFFFAOYSA-N- Molecular formula
- C18H23NO
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.17796436
Names & identifiers
- Preferred name
- N-Isobutyl-1,2-diphenylethanolamine
- IUPAC
- 2-(2-methylpropylamino)-1,2-diphenylethanol
- English name
- N-isobutyl-1,2-diphenylethanolamine
- Molecular formula
- C18H23NO
- Molecular weight
- 269.38
Names & synonyms
IDPEN-Isobutyl-1,2-diphenylethanolamine108935-64-4RefChem:163589SCHEMBL29433956Benzenecetanol, beta-((2-methylpropyl)amino)-alpha-phenyl-Benzeneethanol, β-[(2-methylpropyl)amino]-α-phenyl-N-(2-Methylpropyl)-1,2-diphenyl-2-hydroxyethan-1-amine
Database identifiers
- CAS
108935-64-4- PubChem CID
- 3036007
- Nikkaji
- J356.718D
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 123.7 °C · 123.7 °C(Solv: ethyl ether (60-29-7))
- Boiling point
- 392.2 · 392.2±9.0 °C(Predicted)
- Density
- 1.047 · 1.047±0.06 g/cm3(Predicted)
- pka
- 13.68 · 13.68±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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