Basic information
- CAS
63991-64-0- Standard SMILES
CCCCCCCCNCc1ccc(C(C)C)cc1- InChIKey
GFJYNQALVNKHCS-UHFFFAOYSA-N- Molecular formula
- C18H31N
- Average molar mass
- 261.4 g/mol
- Monoisotopic mass
- 261.24564999
Names & identifiers
- Preferred name
- Benzylamine, p-isopropyl-N-octyl-
- IUPAC
- N-[(4-propan-2-ylphenyl)methyl]octan-1-amine
- English name
- 4-Isopropyl-N-octylbenzenemethanamine
- Molecular formula
- C18H31N
- Molecular weight
- 261.45
Names & synonyms
p-IsopropylbenzyloctylamineBENZYLAMINE, p-ISOPROPYL-N-OCTYL-63991-64-0Octylamine, N-(p-isopropylbenzyl)-DTXSID90213945RefChem:328844DTXCID201364364-Isopropyl-N-octylbenzenemethanamineAKOS002619969DB-316644N-{[4-(Propan-2-yl)phenyl]methyl}octan-1-amineBenzenemethanamine, 4-(1-methylethyl)-N-octyl-
Database identifiers
- CAS
63991-64-0- PubChem CID
- 46294
- DTXSID
DTXSID90213945- Nikkaji
- J69.070H
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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