1-(p-Aminophenethyl)-3-(m-methoxyphenyl)-3-propylpyrrolidine
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Basic information
- CAS
69440-52-4- Standard SMILES
CCCC1(c2cccc(OC)c2)CCN(CCc2ccc(N)cc2)C1- InChIKey
ATBMEZMUEUHJRE-UHFFFAOYSA-N- Molecular formula
- C22H30N2O
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.23581359
Names & identifiers
- Preferred name
- 1-(p-Aminophenethyl)-3-(m-methoxyphenyl)-3-propylpyrrolidine
- IUPAC
- 4-[2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]ethyl]aniline
- English name
- 4-[2-[3-(3-Methoxyphenyl)-3-propyl-1-pyrrolidinyl]ethyl]aniline
- Molecular formula
- C22H30N2O
- Molecular weight
- 338.49
Names & synonyms
69440-52-4BRN 13963651-(p-Aminophenethyl)-3-(m-methoxyphenyl)-3-propylpyrrolidinePyrrolidine, 1-(p-aminophenethyl)-3-(m-methoxyphenyl)-3-propyl-DTXSID109893174-{2-[3-(3-methoxyphenyl)-3-propylpyrrolidin-1-yl]ethyl}aniline4-[2-[3-(3-Methoxyphenyl)-3-propyl-1-pyrrolidinyl]ethyl]anilineBenzenamine, 4-[2-[3-(3-methoxyphenyl)-3-propyl-1-pyrrolidinyl]ethyl]-
Database identifiers
- CAS
69440-52-4- PubChem CID
- 16039
- DTXSID
DTXSID10989317- Nikkaji
- J106.943H
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 38.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 486.8 · 486.8±45.0 °C(Predicted)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- pka
- 10 · 10.00±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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