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

C21H22N2O3 — CID 135971351

IUPAC2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CNCc3ccccc3OC)c2)n1
InChIInChI=1S/C21H22N2O3/c1-25-20-8-4-3-6-16(20)13-22-14-17-12-15(10-11-19(17)24)18-7-5-9-21(23-18)26-2/h3-12,22,24H,13-14H2,1-2H3
InChIKeyGCODUOKMBQJOGP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.76
Rot. Bonds7

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

2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (PubChem CID 135971351) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.

Molecular Properties

Compound Name2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
PubChem CID135971351
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
SMILESCOc1cccc(-c2ccc(O)c(CNCc3ccccc3OC)c2)n1
InChIInChI=1S/C21H22N2O3/c1-25-20-8-4-3-6-16(20)13-22-14-17-12-15(10-11-19(17)24)18-7-5-9-21(23-18)26-2/h3-12,22,24H,13-14H2,1-2H3
InChIKeyGCODUOKMBQJOGP-UHFFFAOYSA-N
XLogP3.76
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.76
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-[[2-(3-chlorophenyl)ethylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 136967884
4-bromo-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 45029997
2-[[cyclohexyl(methyl)amino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971341
2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971339
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
4-(6-methoxy-2-pyridinyl)-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 136666322
3-chloro-2-[[(2-methoxyphenyl)methylamino]methyl]phenol
CID 78959797
N-[(2-methoxy-5-pyridin-2-ylphenyl)methyl]ethanamine
CID 63679441
methyl 2-(bromomethyl)-4-(6-methoxy-2-pyridinyl)benzoate
CID 171545847
N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
4-fluoro-2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenol
CID 103948103
3-methoxy-2-[[5-(6-methoxy-2-pyridinyl)-2-methylphenyl]methyl]but-2-enoic acid
CID 139879837

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The IUPAC name of 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol (CID 135971351) is 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol.
What is the SMILES notation for 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The canonical SMILES for 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is COc1cccc(-c2ccc(O)c(CNCc3ccccc3OC)c2)n1.
What is the InChIKey of 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
The InChIKey is GCODUOKMBQJOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-25-20-8-4-3-6-16(20)13-22-14-17-12-15(10-11-19(17)24)18-7-5-9-21(23-18)26-2/h3-12,22,24H,13-14H2,1-2H3.
What are the key properties of 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol?
2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol has a molecular weight of 350.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyphenyl)methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol is sourced from PubChem (CID 135971351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).