N-(4-methoxy-2,5-dimethylbenzyl)cyclohexanamine
Basic information
- CAS
356091-93-5- Standard SMILES
COc1cc(C)c(CNC2CCCCC2)cc1C- InChIKey
QKPXHXPLAWJIAQ-UHFFFAOYSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
- Monoisotopic mass
- 247.19361442
Names & identifiers
- Preferred name
- N-(4-methoxy-2,5-dimethylbenzyl)cyclohexanamine
- IUPAC
- N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine
- English name
- CHEMBRDG-BB 5542425
- Molecular formula
- C16H25NO
- Molecular weight
- 247.38
Names & synonyms
N-(4-methoxy-2,5-dimethylbenzyl)cyclohexanamine356091-93-5N-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamineMLS000532800HMS2477O04Oprea1_403224Oprea1_416193CHEMBL1736328DTXSID10354501STK145563AKOS003260107SMR000140238
Show more names
CHEMBRDG-BB 5542425Benzenemethanamine, N-cyclohexyl-4-methoxy-2,5-dimethyl-N-(4-methoxy-2,5-dimethylbenzyl)cyclohexanamine(SALTDATA: HBr)
DB-188451ST45157759AB00088206-01AG-690/13701699cyclohexyl[(4-methoxy-2,5-dimethylphenyl)methyl]amineN-[(4-methoxy-2,5-dimethyl-phenyl)methyl]cyclohexanamineN-[(4-methoxy-2,5-dimethylphenyl)methyl]cyclohexanamine--oxalic acid (1/1)
Database identifiers
- CAS
356091-93-5- PubChem CID
- 775174
- DTXSID
DTXSID10354501- ChEMBL
CHEMBL1736328
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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