Basic information
- CAS
694506-95-1- Standard SMILES
COc1ccccc1CNc1cc(C)ccn1- InChIKey
DQTYKRWNTJBXSF-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- (2-Methoxy-benzyl)-(4-methyl-pyridin-2-yl)-amine
- IUPAC
- N-[(2-methoxyphenyl)methyl]-4-methylpyridin-2-amine
Names & synonyms
(2-Methoxy-benzyl)-(4-methyl-pyridin-2-yl)-amineN-[(2-methoxyphenyl)methyl]-4-methylpyridin-2-amine694506-95-1MLS001207029CHEMBL1455477SCHEMBL15503724DTXSID901326270HMS2816C19AKOS000505615SMR000523909ST50025380AE-848/42278635
Show more names
N-(2-methoxybenzyl)-N-(4-methyl-2-pyridinyl)amineBRD-K84149806-001-07-0Z636369652
Database identifiers
- CAS
694506-95-1- PubChem CID
- 975767
- DTXSID
DTXSID901326270- ChEMBL
CHEMBL1455477
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
LogP3.28
Solubility28.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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