1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
Basic information
- CAS
692280-27-6- Standard SMILES
Cc1ccnc(NCc2c(O)ccc3ccccc23)c1- InChIKey
BIBREOZCSNFKLF-UHFFFAOYSA-N- Molecular formula
- C17H16N2O
- Average molar mass
- 264.32 g/mol
- Monoisotopic mass
- 264.12626314
Names & identifiers
- Preferred name
- 1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
- IUPAC
- 1-[[(4-methyl-2-pyridinyl)amino]methyl]naphthalen-2-ol
Names & synonyms
1-[[(4-methylpyridin-2-yl)amino]methyl]naphthalen-2-ol692280-27-6MLS0012056101-[(4-Methyl-pyridin-2-ylamino)-methyl]-naphthalen-2-olSMR0005232921-(((4-methylpyridin-2-yl)amino)methyl)naphthalen-2-ol1-{[(4-methylpyridin-2-yl)amino]methyl}naphthalen-2-olcid_890718CHEMBL1539253SCHEMBL13167300BDBM78961DTXSID501333394
Show more names
HMS2823A04STK052073AKOS0005057721-[[(4-methyl-2-pyridyl)amino]methyl]-2-naphthol1-[[(4-methyl-2-pyridinyl)amino]methyl]-2-naphthalenol
Database identifiers
- CAS
692280-27-6- PubChem CID
- 890718
- DTXSID
DTXSID501333394- ChEMBL
CHEMBL1539253
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 309
Experimental & physicochemical properties
LogP4.24
Solubility9.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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