3-(aminomethyl)-N-(4-butylphenyl)benzamide
Basic information
- CAS
1096303-56-8- Standard SMILES
CCCCc1ccc(NC(=O)c2cccc(CN)c2)cc1- InChIKey
PALBDEYHQNWNOM-UHFFFAOYSA-N- Molecular formula
- C18H22N2O
- Average molar mass
- 282.4 g/mol
- Monoisotopic mass
- 282.17321333
Names & identifiers
- Preferred name
- 3-(aminomethyl)-N-(4-butylphenyl)benzamide
- IUPAC
- 3-(aminomethyl)-N-(4-butylphenyl)benzamide
Names & synonyms
3-(aminomethyl)-N-(4-butylphenyl)benzamideDTXSID9012645791096303-56-8
Database identifiers
- CAS
1096303-56-8- PubChem CID
- 43378419
- DTXSID
DTXSID901264579
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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