Benzeneethanamine, 4-ethoxy-N-methyl-
Basic information
- CAS
21581-35-1- Standard SMILES
CCOc1ccc(CCNC)cc1- InChIKey
IRPMCTOEVDGBKW-UHFFFAOYSA-N- Molecular formula
- C11H17NO
- Average molar mass
- 179.26 g/mol
- Monoisotopic mass
- 179.13101417
Names & identifiers
- Preferred name
- Benzeneethanamine, 4-ethoxy-N-methyl-
- IUPAC
- 2-(4-ethoxyphenyl)-N-methylethanamine
Names & synonyms
Benzeneethanamine, 4-ethoxy-N-methyl-21581-35-1[2-(4-ethoxyphenyl)ethyl](methyl)amineTH2V9E66Z54-Ethoxy-N-methylbenzeneethanamine2-(4-ethoxyphenyl)-N-methylethanamineUNII-TH2V9E66Z5SCHEMBL2910125DTXSID40175943AKOS0120954382-(4-Ethoxyphenyl)-N-methylethan-1-amineEN300-755158
Database identifiers
- CAS
21581-35-1- PubChem CID
- 146702
- DTXSID
DTXSID40175943- UNII
- TH2V9E66Z5
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 119
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Compound notes
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