4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol

C15H18N2O2 — CID 43721997

IUPAC4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
SMILESCOc1ncccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-10-7-12(8-11(2)14(10)18)9-17-13-5-4-6-16-15(13)19-3/h4-8,17-18H,9H2,1-3H3
InChIKeyWAYZJCOOLCYEDR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.02
Rot. Bonds4

About 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol

4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 43721997) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
PubChem CID43721997
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol
SMILESCOc1ncccc1NCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C15H18N2O2/c1-10-7-12(8-11(2)14(10)18)9-17-13-5-4-6-16-15(13)19-3/h4-8,17-18H,9H2,1-3H3
InChIKeyWAYZJCOOLCYEDR-UHFFFAOYSA-N
XLogP3.02
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
CID 28932228
2,6-dimethoxy-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042152
N-[(3-fluorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721741
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
N-(isoquinolin-6-ylmethyl)-2-methoxypyridin-3-amine
CID 107037935
2-methoxy-N-[(3-propoxyphenyl)methyl]pyridin-3-amine
CID 61016634
methyl 2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzoate
CID 43139457
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316
4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
[5-[[(2-methoxy-3-pyridinyl)amino]methyl]furan-2-yl]methanol
CID 64579186
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
2-methoxy-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridin-3-amine
CID 43721790

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol (CID 43721997) is 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol is COc1ncccc1NCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is WAYZJCOOLCYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-7-12(8-11(2)14(10)18)9-17-13-5-4-6-16-15(13)19-3/h4-8,17-18H,9H2,1-3H3.
What are the key properties of 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol?
4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 258.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-3-pyridinyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 43721997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).