3-[3-(4-Ethoxyphenyl)propyl]aniline
Basic information
- CAS
89807-70-5- Standard SMILES
CCOc1ccc(CCCc2cccc(N)c2)cc1- InChIKey
IWYSLEVUQOKISB-UHFFFAOYSA-N- Molecular formula
- C17H21NO
- Average molar mass
- 255.35 g/mol
- Monoisotopic mass
- 255.16231429
Names & identifiers
- Preferred name
- 3-[3-(4-Ethoxyphenyl)propyl]aniline
- IUPAC
- 3-[3-(4-ethoxyphenyl)propyl]aniline
Names & synonyms
89807-70-53-[3-(4-Ethoxyphenyl)propyl]anilineSCHEMBL9799017DTXSID40600442
Database identifiers
- CAS
89807-70-5- PubChem CID
- 19834563
- DTXSID
DTXSID40600442
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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