N-[2-(3,4-dimethoxyphenyl)ethyl]pentan-3-amine
Basic information
- CAS
461408-09-3- Standard SMILES
CCC(CC)NCCc1ccc(OC)c(OC)c1- InChIKey
KYDSRFWXCVWCBP-UHFFFAOYSA-N- Molecular formula
- C15H25NO2
- Average molar mass
- 251.36 g/mol
- Monoisotopic mass
- 251.18852904
Names & identifiers
- Preferred name
- N-[2-(3,4-dimethoxyphenyl)ethyl]pentan-3-amine
- IUPAC
- N-[2-(3,4-dimethoxyphenyl)ethyl]pentan-3-amine
- English name
- CHEMBRDG-BB 5939935
- Molecular formula
- C15H25NO2
- Molecular weight
- 251.36
Names & synonyms
N-[2-(3,4-dimethoxyphenyl)ethyl]pentan-3-amine461408-09-3CBMicro_038032Oprea1_282292SCHEMBL19334563DTXSID30353990STK146479AKOS000231837BIM-0038026.P001N-(3,4-Dimethoxyphenethyl)pentan-3-amineST45109010[2-(3,4-dimethoxyphenyl)ethyl](ethylpropyl)amine
Show more names
CHEMBRDG-BB 5939935UKRORGSYN-BB BBV-122772Benzeneethanamine, N-(1-ethylpropyl)-3,4-dimethoxy-N-[2-(3,4-dimethoxyphenyl)ethyl]pentan-3-amine(SALTDATA: HBr)
SR-01000223935SR-01000223935-1N-[2-(3,4-dimethoxyphenyl)ethyl]pentan-3-amine--oxalic acid (1/1)5939-93-5
Database identifiers
- CAS
461408-09-3- PubChem CID
- 761014
- DTXSID
DTXSID30353990
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 342.5 · 342.5±27.0 °C(Predicted)
- Density
- 0.959 · 0.959±0.06 g/cm3(Predicted)
- pka
- 10.52 · 10.52±0.28(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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