4-Ethoxy-1,2,3,4-tetrahydro-2-(phenylmethyl)isoquinoline
Basic information
- CAS
106889-85-4- Standard SMILES
CCOC1CN(Cc2ccccc2)Cc2ccccc21- InChIKey
YWZAQXBGXSGWHJ-UHFFFAOYSA-N- Molecular formula
- C18H21NO
- Average molar mass
- 267.4 g/mol
- Monoisotopic mass
- 267.16231429
Names & identifiers
- Preferred name
- 4-Ethoxy-1,2,3,4-tetrahydro-2-(phenylmethyl)isoquinoline
- IUPAC
- 2-benzyl-4-ethoxy-3,4-dihydro-1H-isoquinoline
Names & synonyms
4-Ethoxy-1,2,3,4-tetrahydro-2-(phenylmethyl)isoquinolineDTXSID001200293106889-85-42-Benzyl-4-ethoxy-1,2,3,4-tetrahydroisoquinoline
Database identifiers
- CAS
106889-85-4- PubChem CID
- 13622255
- DTXSID
DTXSID001200293
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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