Basic information
- Standard SMILES
CCC(C)Cc1ccc(CN)cc1- InChIKey
VOAUWQMRWQJTRL-UHFFFAOYSA-N- Molecular formula
- C12H19N
- Average molar mass
- 177.29 g/mol
- Monoisotopic mass
- 177.15174961
Names & identifiers
- Preferred name
- 4-(2-Methyl-butyl)-benzylamine
- IUPAC
- [4-(2-methylbutyl)phenyl]methanamine
Names & synonyms
864266-93-3SCHEMBL5082444-(2-methyl-butyl)-benzylamineVOAUWQMRWQJTRL-UHFFFAOYSA-NDS-018404
Database identifiers
- PubChem CID
- 57656140
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Related reactions
5 records
Compound notes
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