2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol

C16H20N2O3 — CID 62733708

IUPAC2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2ccnc(OC)c2)c1O
InChIInChI=1S/C16H20N2O3/c1-3-21-14-6-4-5-13(16(14)19)11-17-10-12-7-8-18-15(9-12)20-2/h4-9,17,19H,3,10-11H2,1-2H3
InChIKeyMTKADFPKYZUPJQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.48
Rot. Bonds7

About 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol

2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol (PubChem CID 62733708) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
PubChem CID62733708
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
SMILESCCOc1cccc(CNCc2ccnc(OC)c2)c1O
InChIInChI=1S/C16H20N2O3/c1-3-21-14-6-4-5-13(16(14)19)11-17-10-12-7-8-18-15(9-12)20-2/h4-9,17,19H,3,10-11H2,1-2H3
InChIKeyMTKADFPKYZUPJQ-UHFFFAOYSA-N
XLogP2.48
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-6-[(pyridin-4-ylmethylamino)methyl]phenol
CID 28669757
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
2-ethoxy-6-[[(3-methyl-4-pyridinyl)methylamino]methyl]phenol
CID 114698563
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 62991104
4-[[(3-ethoxy-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60918198
N-(1,3-benzodioxol-4-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
CID 60776828
2-ethoxy-6-[[(1-methylimidazol-2-yl)methylamino]methyl]phenol
CID 63237468
2-ethoxy-6-[(2-methylbutylamino)methyl]phenol
CID 62693047
2-[(3,3-dimethylbutylamino)methyl]-6-ethoxyphenol
CID 115603081
N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 60957658
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-6-ethoxyphenol
CID 61016649

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol (CID 62733708) is 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol is CCOc1cccc(CNCc2ccnc(OC)c2)c1O.
What is the InChIKey of 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol?
The InChIKey is MTKADFPKYZUPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-21-14-6-4-5-13(16(14)19)11-17-10-12-7-8-18-15(9-12)20-2/h4-9,17,19H,3,10-11H2,1-2H3.
What are the key properties of 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol?
2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol has a molecular weight of 288.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol is sourced from PubChem (CID 62733708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).