N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
Basic information
- CAS
149860-29-7- Standard SMILES
CCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1- InChIKey
YBLIQJGXRLZBCZ-UHFFFAOYSA-N- Molecular formula
- C23H33NO2
- Average molar mass
- 355.5 g/mol
- Monoisotopic mass
- 355.2511293
Names & identifiers
- Preferred name
- N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amine
- IUPAC
- N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amine
Names & synonyms
NE-100N-(4-methoxy-3-phenethoxyphenethyl)-N-propylpropan-1-amineRN9I7K5RVN149860-29-7CHEMBL190883(2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl)-dipropyl-amine4-Methoxy-3-(2-phenylethoxy)-N,N-dipropylbenzeneethanamine[2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-dipropyl-amineBenzeneethanamine, 4-methoxy-3-(2-phenylethoxy)-N,N-dipropyl-N-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-N-propylpropan-1-amineN-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amineUNII-RN9I7K5RVN
Show more names
NE-100 FREE BASEGTPL6679SCHEMBL3228699DTXSID701030382NE100BDBM50170660NCGC00387082-01NS00116431
Database identifiers
- CAS
149860-29-7- PubChem CID
- 9841596
- DTXSID
DTXSID701030382- ChEMBL
CHEMBL190883- UNII
- RN9I7K5RVN
- Nikkaji
- J562.032E
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 337
Chemistry & industry
Pharmacology
Metabolism/Metabolites
NE-100 has known human metabolites that include Phenol, 4-[2-(dipropylamino)ethyl]-2-(2-phenylethoxy)-, 3-(2-{5-[2-(Dipropylamino)ethyl]-2-methoxyphenoxy}ethyl)phenol, [2-(4-Methoxy-3-phenethyloxy-phenyl)-ethyl]-propyl-amine; hydrochloride, and 4-(2-{5-[2-(Dipropylamino)ethyl]-2-methoxyphenoxy}ethyl)phenol.
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Compound notes
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