ETHANOL, 2-((3-(p-(PHENOXYMETHYL)PHENYL)PROPYL)AMINO)-
Basic information
- CAS
101247-77-2- Standard SMILES
OCCNCCCc1ccc(OCc2ccccc2)cc1- InChIKey
MQCQTZCWPYIRJR-UHFFFAOYSA-N- Molecular formula
- C18H23NO2
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.17287898
Names & identifiers
- Preferred name
- ETHANOL, 2-((3-(p-(PHENOXYMETHYL)PHENYL)PROPYL)AMINO)-
- IUPAC
- 2-[3-(4-phenylmethoxyphenyl)propylamino]ethanol
- English name
- 2-[3-(4-phenylmethoxyphenyl)propylamino]ethanol
- Molecular formula
- C18H23NO2
- Molecular weight
- 285.38
Names & synonyms
2-[3-(4-phenylmethoxyphenyl)propylamino]ethanolETHANOL, 2-((3-(p-(PHENOXYMETHYL)PHENYL)PROPYL)AMINO)-BRN 33866483-(1-Hydroxyaethyl-(2)-amino)-1-(4'-(phenoxymethyl)-phenyl)propan [German]2-((3-(p-(Phenoxymethyl)phenyl)propyl)amino)ethanolDTXSID601438063-(1-Hydroxyaethyl-(2)-amino)-1-(4'-(phenoxymethyl)-phenyl)propan2-({3-[4-(Benzyloxy)phenyl]propyl}amino)ethan-1-olEthanol, 2-[[3-[4-(phenoxymethyl)phenyl]propyl]amino]-
Database identifiers
- CAS
101247-77-2- PubChem CID
- 58231
- DTXSID
DTXSID60143806
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 81 · 81-82 °C
- Boiling point
- 238 · 238-242 °C(Press: 0.9 Torr)
- Density
- 1.086 · 1.086±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.795 · 14.795±0.10(predicted)
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Compound notes
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