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

C14H16N2O2 — CID 853804

IUPAC2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cc(C)ccn2)c1O
InChIInChI=1S/C14H16N2O2/c1-10-6-7-15-13(8-10)16-9-11-4-3-5-12(18-2)14(11)17/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyHHJRCJJANAEWSL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.72
Rot. Bonds4

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

2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (PubChem CID 853804) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
PubChem CID853804
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCOc1cccc(CNc2cc(C)ccn2)c1O
InChIInChI=1S/C14H16N2O2/c1-10-6-7-15-13(8-10)16-9-11-4-3-5-12(18-2)14(11)17/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyHHJRCJJANAEWSL-UHFFFAOYSA-N
XLogP2.72
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (CID 853804) is 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is COc1cccc(CNc2cc(C)ccn2)c1O.
What is the InChIKey of 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is HHJRCJJANAEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-6-7-15-13(8-10)16-9-11-4-3-5-12(18-2)14(11)17/h3-8,17H,9H2,1-2H3,(H,15,16).
What are the key properties of 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol has a molecular weight of 244.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 853804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).