2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol

C15H18N2O2 — CID 103648527

IUPAC2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2cccc(CO)c2)n1
InChIInChI=1S/C15H18N2O2/c1-11-5-6-15(19)14(17-11)9-16-8-12-3-2-4-13(7-12)10-18/h2-7,16,18-19H,8-10H2,1H3
InChIKeyMNGQJZKVQFAULK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.88
Rot. Bonds5

About 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol

2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 103648527) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID103648527
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNCc2cccc(CO)c2)n1
InChIInChI=1S/C15H18N2O2/c1-11-5-6-15(19)14(17-11)9-16-8-12-3-2-4-13(7-12)10-18/h2-7,16,18-19H,8-10H2,1H3
InChIKeyMNGQJZKVQFAULK-UHFFFAOYSA-N
XLogP1.88
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[[(3-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928518
6-methyl-2-[[2-(3-methylphenyl)ethylamino]methyl]pyridin-3-ol
CID 78928880
2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928448
2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928746
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
6-methyl-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
CID 78928434
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294
[3-[[(4-methylsulfanylphenyl)methylamino]methyl]phenyl]methanol
CID 103648640
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
2-[[(4-hydroxy-2-methylbutyl)amino]methyl]-6-methylpyridin-3-ol
CID 79033166
3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]propanoic acid
CID 79163527

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol (CID 103648527) is 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNCc2cccc(CO)c2)n1.
What is the InChIKey of 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is MNGQJZKVQFAULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-5-6-15(19)14(17-11)9-16-8-12-3-2-4-13(7-12)10-18/h2-7,16,18-19H,8-10H2,1H3.
What are the key properties of 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol?
2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 258.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 103648527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).