(4-Methoxy-benzyl)-(2-methyl-benzyl)-amine
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Basic information
- CAS
356093-22-6- Standard SMILES
COc1ccc(CNCc2ccccc2C)cc1- InChIKey
FYGYXNSSEGQBPC-UHFFFAOYSA-N- Molecular formula
- C16H19NO
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.14666423
Names & identifiers
- Preferred name
- (4-Methoxy-benzyl)-(2-methyl-benzyl)-amine
- IUPAC
- 1-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
- English name
- (4-METHOXY-BENZYL)-(2-METHYL-BENZYL)-AMINE
- Molecular formula
- C16H19NO
- Molecular weight
- 241.33
Names & synonyms
356093-22-6(4-Methoxy-benzyl)-(2-methyl-benzyl)-amineDTXSID00353361RefChem:208856DTXCID50304424N-(4-Methoxybenzyl)-1-(o-tolyl)methanamine(4-METHOXYBENZYL)(2-METHYLBENZYL)AMINE1-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine[(4-methoxyphenyl)methyl][(2-methylphenyl)methyl]amineOprea1_114970Oprea1_848846CHEMBL1616156
Show more names
AKOS JY2013763CHEMBRDG-BB 5554908UKRORGSYN-BB BBV-126616N-(4-METHOXYBENZYL)-N-(2-METHYLBENZYL)AMINE(4-methoxybenzyl)(2-methylbenzyl)amine(SALTDATA: HBr)Benzenemethanamine, 4-methoxy-N-[(2-methylphenyl)methyl]-
SBB027815STK211843AKOS000233029SB80640ST061004N-(4-methoxybenzyl)(2-methylphenyl)methanamineAB00088879-01AG-690/13701756
Database identifiers
- CAS
356093-22-6- PubChem CID
- 738591
- DTXSID
DTXSID00353361- ChEMBL
CHEMBL1616156
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Boiling point
- 364.4 · 364.4±27.0 °C(Predicted)
- Density
- 1.04 · 1.040±0.06 g/cm3(Predicted)
- pka
- 9.17 · 9.17±0.20(Predicted)
- 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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