4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
Basic information
- CAS
692281-97-3- Standard SMILES
Cc1ccc(O)c(CNc2cccc(C)n2)c1- InChIKey
VHEPGFWKHMMKSN-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- 4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
- IUPAC
- 4-methyl-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
Names & synonyms
4-methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol692281-97-3ZINC45592094-methyl-2-(((6-methylpyridin-2-yl)amino)methyl)phenol4-methyl-2-{[(6-methylpyridin-2-yl)amino]methyl}phenolMLS001205603CHEMBL15015854-Methyl-2-[(6-methyl-pyridin-2-ylamino)-methyl]-phenolCc1ccc(c(c1)CNc1cccc(n1)C)ODTXSID501321866HMS2840F11MFCD03678359
Show more names
STK028846AKOS000505769SMR000523289ZINC000004559209CC1=CC(=C(C=C1)O)CNC2=CC=CC(=N2)C4METHYL2((6METHYLPYRIDIN2YLAMINO)METHYL)PHENOL4METHYL2(((6METHYLPYRIDIN2YL)AMINO)METHYL)PHENOL
Database identifiers
- CAS
692281-97-3- PubChem CID
- 890931
- DTXSID
DTXSID501321866- ChEMBL
CHEMBL1501585
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Experimental & physicochemical properties
Solubility22.5 [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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