Basic information
- Standard SMILES
CCCCNCc1cccc(OC(C)C)c1- InChIKey
NIFYFNBBKKYCCH-UHFFFAOYSA-N- Molecular formula
- C14H23NO
- Average molar mass
- 221.34 g/mol
Names & identifiers
- Preferred name
- N-(3-Isopropoxybenzyl)butan-1-amine
- IUPAC
- N-[(3-propan-2-yloxyphenyl)methyl]butan-1-amine
Names & synonyms
N-(3-Isopropoxybenzyl)butan-1-amineSCHEMBL14149510NIFYFNBBKKYCCH-UHFFFAOYSA-NAKOS002637768A1-57799
Database identifiers
- PubChem CID
- 39245116
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 170
Related reactions
1 records
Compound notes
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