(4-Isopropyl-benzyl)-(4-methoxy-benzyl)-amine
Basic information
- CAS
436088-69-6- Standard SMILES
COc1ccc(CNCc2ccc(C(C)C)cc2)cc1- InChIKey
QOJMGCQDWVYSMV-UHFFFAOYSA-N- Molecular formula
- C18H23NO
- Average molar mass
- 269.4 g/mol
- Monoisotopic mass
- 269.17796436
Names & identifiers
- Preferred name
- (4-Isopropyl-benzyl)-(4-methoxy-benzyl)-amine
- IUPAC
- N-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamine
- English name
- (4-Isopropyl-benzyl)-(4-methoxy-benzyl)-amine
- Molecular formula
- C18H23NO
- Molecular weight
- 269.38
Names & synonyms
436088-69-6(4-Isopropyl-benzyl)-(4-methoxy-benzyl)-amineN-(4-Isopropylbenzyl)-1-(4-methoxyphenyl)methanamineN-[(4-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)methanamineOprea1_017372Oprea1_383720DTXSID20355302Benzenemethanamine,4-methoxy-N-[[4-(1-methylethyl)phenyl]methyl]-AKOS000232847SB81600ST064936CS-0362303
Show more names
Benzenemethanamine, 4-methoxy-N-[[4-(1-methylethyl)phenyl]methyl]-
N-(4-isopropylbenzyl)-N-(4-methoxybenzyl)amineAN-465/42535834F057918[(4-methoxyphenyl)methyl]{[4-(methylethyl)phenyl]methyl}amine1-(4-isopropylphenyl)-N-[(4-methoxyphenyl)methyl]methanamine1-(4-Methoxyphenyl)-N-{[4-(propan-2-yl)phenyl]methyl}methanamine
Database identifiers
- CAS
436088-69-6- PubChem CID
- 796206
- DTXSID
DTXSID20355302
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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