4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol

C15H18N2O2 — CID 114698554

IUPAC4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCc2ccncc2C)c1
InChIInChI=1S/C15H18N2O2/c1-11-8-16-6-5-12(11)9-17-10-13-7-14(19-2)3-4-15(13)18/h3-8,17-18H,9-10H2,1-2H3
InChIKeyFPTKNJPKGFNEFF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.39
Rot. Bonds5

About 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol

4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol (PubChem CID 114698554) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
PubChem CID114698554
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
SMILESCOc1ccc(O)c(CNCc2ccncc2C)c1
InChIInChI=1S/C15H18N2O2/c1-11-8-16-6-5-12(11)9-17-10-13-7-14(19-2)3-4-15(13)18/h3-8,17-18H,9-10H2,1-2H3
InChIKeyFPTKNJPKGFNEFF-UHFFFAOYSA-N
XLogP2.39
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 103851725
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-4-methoxyphenol
CID 112705335
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114698588
4-methoxy-2-[[(4-methyl-1,3-thiazol-2-yl)methylamino]methyl]phenol
CID 54913363
4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202313
4-methoxy-2-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 78963860
2-[(but-2-ynylamino)methyl]-4-methoxyphenol
CID 115908793
5-methoxy-2-[[(2-methylphenyl)methylamino]methyl]phenol
CID 61262143
2-[[(2,4-difluorophenyl)methylamino]methyl]-4-methoxyphenol
CID 62222408
4-methoxy-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28656129
2-[(furan-3-ylmethylamino)methyl]-4-methoxyphenol
CID 115627586
2,4-dichloro-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698958

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol (CID 114698554) is 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol is COc1ccc(O)c(CNCc2ccncc2C)c1.
What is the InChIKey of 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
The InChIKey is FPTKNJPKGFNEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-8-16-6-5-12(11)9-17-10-13-7-14(19-2)3-4-15(13)18/h3-8,17-18H,9-10H2,1-2H3.
What are the key properties of 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol?
4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol has a molecular weight of 258.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 114698554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).