Basic information
- Standard SMILES
CC(C)CCOc1ccc(CN)cc1- InChIKey
VBNCKGMOSXBVRO-UHFFFAOYSA-N- Molecular formula
- C12H19NO
- Average molar mass
- 193.28 g/mol
Names & identifiers
- Preferred name
- 4-(3-Methyl-butoxy)-benzylamine
- IUPAC
- [4-(3-methylbutoxy)phenyl]methanamine
Names & synonyms
4-(3-Methyl-butoxy)-benzylamine21244-38-2[4-(3-methylbutoxy)phenyl]methanamine(4-(isopentyloxy)phenyl)methanamineF1507-0029IFLab1_006076[4-(3-Methylbutoxy)benzyl]amine4-(3-Methylbutoxy)benzenemethanamineOprea1_289623Oprea1_393990p-(3 methylbutoxy)benzylamineIFLab2_000181
Show more names
SCHEMBL9819744(4-isopentyloxyphenyl)methanamineVBNCKGMOSXBVRO-UHFFFAOYSA-NSMSSF-0041382WAA24438MFCD02225921[4-(3-methylbutoxy)phenyl]methylamine{[p-(isopentyloxy)phenyl]methyl}amine
Database identifiers
- PubChem CID
- 808425
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 139
Related reactions
2 records
Compound notes
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