Basic information
- CAS
3155-05-3- Standard SMILES
CCN(CC)CCOc1ccc(C(C)(C)c2ccc(Cl)cc2)cc1- InChIKey
LLFFPWYBJUARAE-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1859422
Names & identifiers
- Preferred name
- 2-(4-(1-(4-Chlorophenyl)-1-methylethyl)phenoxy)-N,N-diethylethanamine
- IUPAC
- 2-[4-[2-(4-chlorophenyl)propan-2-yl]phenoxy]-N,N-diethylethanamine
Names & synonyms
SB2BZ8R82OUNII-SB2BZ8R82OSU-114452-(4-(1-(4-Chlorophenyl)-1-methylethyl)phenoxy)-N,N-diethylethanamine3155-05-3Ethanamine, 2-(4-(1-(4-chlorophenyl)-1-methylethyl)phenoxy)-N,N-diethyl-
Database identifiers
- CAS
3155-05-3- PubChem CID
- 30995
- UNII
- SB2BZ8R82O
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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