Basic information
- CAS
821784-29-6- Standard SMILES
OCc1cccc(-c2cncc(NCc3cccc(O)c3)c2)c1- InChIKey
JDTZKTUXMAUEAS-UHFFFAOYSA-N- Molecular formula
- C19H18N2O2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.13682782
Names & identifiers
- Preferred name
- Benzenemethanol, 3-[5-[[(3-hydroxyphenyl)methyl]amino]-3-pyridinyl]-
- IUPAC
- 3-[[[5-[3-(hydroxymethyl)phenyl]-3-pyridinyl]amino]methyl]phenol
Names & synonyms
821784-29-6Benzenemethanol, 3-[5-[[(3-hydroxyphenyl)methyl]amino]-3-pyridinyl]-SCHEMBL4185311DTXSID704699683-[({5-[3-(HYDROXYMETHYL)PHENYL]PYRIDIN-3-YL}AMINO)METHYL]PHENOL
Database identifiers
- CAS
821784-29-6- PubChem CID
- 11645191
- DTXSID
DTXSID70469968
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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