Basic information
- Standard SMILES
CCC(Cc1ccccc1)(C(=O)c1ccc(NCCCI)cc1)N(C)C- InChIKey
CVAYCFTZBUEQOH-UHFFFAOYSA-N- Molecular formula
- C22H29IN2O
- Average molar mass
- 464.4 g/mol
- Monoisotopic mass
- 464.13246
Names & identifiers
- Preferred name
- 1-[4-(3-Iodopropylamino)phenyl]-2-dimethylamino-2-benzyl-butan-1-one
- IUPAC
- 2-benzyl-2-(dimethylamino)-1-[4-(3-iodopropylamino)phenyl]butan-1-one
Names & synonyms
SCHEMBL8174827CVAYCFTZBUEQOH-UHFFFAOYSA-N1-[4-(3-Iodopropylamino)phenyl]-2-dimethylamino-2-benzyl-butan-1-one
Database identifiers
- PubChem CID
- 19360592
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 414
Related reactions
3 records
Compound notes
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