N-[[3-(aminomethyl)phenyl]methyl]-N-methylbutanamide
Basic information
- CAS
1094485-73-0- Standard SMILES
CCCC(=O)N(C)Cc1cccc(CN)c1- InChIKey
CTDBUJXLRRAGJA-UHFFFAOYSA-N- Molecular formula
- C13H20N2O
- Average molar mass
- 220.31 g/mol
- Monoisotopic mass
- 220.15756327
Names & identifiers
- Preferred name
- N-[[3-(aminomethyl)phenyl]methyl]-N-methylbutanamide
- IUPAC
- N-[[3-(aminomethyl)phenyl]methyl]-N-methylbutanamide
Names & synonyms
N-[[3-(aminomethyl)phenyl]methyl]-N-methylbutanamideN-{[3-(Aminomethyl)phenyl]methyl}-N-methylbutanamideDTXSID8012194761094485-73-0
Database identifiers
- CAS
1094485-73-0- PubChem CID
- 43248596
- DTXSID
DTXSID801219476
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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