2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol

C16H20N2O3 — CID 78928448

IUPAC2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
SMILESCOc1ccc(CNCc2nc(C)ccc2O)cc1OC
InChIInChI=1S/C16H20N2O3/c1-11-4-6-14(19)13(18-11)10-17-9-12-5-7-15(20-2)16(8-12)21-3/h4-8,17,19H,9-10H2,1-3H3
InChIKeyDCYLJIHMNXWAEY-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.40
Rot. Bonds6

About 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol

2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol (PubChem CID 78928448) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
PubChem CID78928448
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
SMILESCOc1ccc(CNCc2nc(C)ccc2O)cc1OC
InChIInChI=1S/C16H20N2O3/c1-11-4-6-14(19)13(18-11)10-17-9-12-5-7-15(20-2)16(8-12)21-3/h4-8,17,19H,9-10H2,1-3H3
InChIKeyDCYLJIHMNXWAEY-UHFFFAOYSA-N
XLogP2.40
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyridin-3-ol
CID 1204262
6-methyl-2-[[(3-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928518
2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928746
2-[[[3-(hydroxymethyl)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 103648527
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
6-methyl-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
CID 78928434
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
2-[(2-hydroxyethylamino)methyl]-6-methylpyridin-3-ol
CID 78967327
1-(3,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318644
4-[[(4-bromophenyl)methylamino]methyl]-2-methoxyphenol
CID 60735101
1-(3,4-dimethoxyphenyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 62759037

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol (CID 78928448) is 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol is COc1ccc(CNCc2nc(C)ccc2O)cc1OC.
What is the InChIKey of 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol?
The InChIKey is DCYLJIHMNXWAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-4-6-14(19)13(18-11)10-17-9-12-5-7-15(20-2)16(8-12)21-3/h4-8,17,19H,9-10H2,1-3H3.
What are the key properties of 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol?
2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 78928448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).