4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol

C14H16N2O3 — CID 62991104

IUPAC4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
SMILESCOc1cc(CNCc2ccc(O)cc2O)ccn1
InChIInChI=1S/C14H16N2O3/c1-19-14-6-10(4-5-16-14)8-15-9-11-2-3-12(17)7-13(11)18/h2-7,15,17-18H,8-9H2,1H3
InChIKeyZIKVCKBKRBTUAJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.79
Rot. Bonds5

About 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol

4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol (PubChem CID 62991104) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
PubChem CID62991104
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol
SMILESCOc1cc(CNCc2ccc(O)cc2O)ccn1
InChIInChI=1S/C14H16N2O3/c1-19-14-6-10(4-5-16-14)8-15-9-11-2-3-12(17)7-13(11)18/h2-7,15,17-18H,8-9H2,1H3
InChIKeyZIKVCKBKRBTUAJ-UHFFFAOYSA-N
XLogP1.79
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60760659
4-[[(2-methoxy-3-pyridinyl)methylamino]methyl]benzene-1,3-diol
CID 54926945
4-[(pyridin-4-ylmethylamino)methyl]benzene-1,3-diol
CID 28669626
N-[(2-chloro-4-methylphenyl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 106862632
2-ethoxy-6-[[(2-methoxy-4-pyridinyl)methylamino]methyl]phenol
CID 62733708
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
N-(1-benzofuran-3-ylmethyl)-1-(2-methoxy-4-pyridinyl)methanamine
CID 80700524
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
1-(1,3-benzodioxol-5-yl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 62991279
4-[[(3-ethoxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 60873721
1-(2-methoxy-4-pyridinyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)methanamine
CID 63315135
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol (CID 62991104) is 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol is COc1cc(CNCc2ccc(O)cc2O)ccn1.
What is the InChIKey of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol?
The InChIKey is ZIKVCKBKRBTUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-19-14-6-10(4-5-16-14)8-15-9-11-2-3-12(17)7-13(11)18/h2-7,15,17-18H,8-9H2,1H3.
What are the key properties of 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol?
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol has a molecular weight of 260.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]benzene-1,3-diol is sourced from PubChem (CID 62991104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).