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

C14H16N2O2 — CID 931311

IUPAC5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cccc(C)n2)c(O)c1
InChIInChI=1S/C14H16N2O2/c1-10-4-3-5-14(16-10)15-9-11-6-7-12(18-2)8-13(11)17/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyASCJKZJRMMAOKA-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.72
Rot. Bonds4

About 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol

5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol (PubChem CID 931311) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
PubChem CID931311
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cccc(C)n2)c(O)c1
InChIInChI=1S/C14H16N2O2/c1-10-4-3-5-14(16-10)15-9-11-6-7-12(18-2)8-13(11)17/h3-8,17H,9H2,1-2H3,(H,15,16)
InChIKeyASCJKZJRMMAOKA-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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Related Compounds

N-(1-ethylpropyl)-(3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl)amine
CID 9822241
5-Methoxy-2-{[(4-methylpyridin-2-yl)amino]methyl}phenol
CID 683107
4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931
2-(4-Methoxy-benzylamino)-4,6-dimethyl-nicotinonitrile
CID 975783
6-[4-(2-Dimethylamino-ethoxy)-5-ethyl-2-methoxy-phenyl]-pyridin-2-ylamine
CID 9818336
3,6-diethyl-5-[4-methoxy-2-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10223332
3-ethyl-6-methoxy-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 10295219
3,6-diethyl-5-(2,4-dimethoxyphenyl)-[N-(1-ethylpropyl)]pyrazine-2-amine
CID 18449319
5-(4-ethoxy-2-methoxyphenyl)-3,6-diethyl-N-pentan-3-ylpyrazin-2-amine
CID 22249028
4-(2,6-Dimethoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25131230
3,6-diethyl-5-[2-methoxy-4-(trifluoromethoxy)phenyl]-N-pentan-3-ylpyrazin-2-amine
CID 53310132
2-Amino-6-(2-hydroxy-6-propoxyphenyl)-4-(3-piperidinyl)-3-pyridinecarbonitrile
CID 135482239

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol (CID 931311) is 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol is COc1ccc(CNc2cccc(C)n2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is ASCJKZJRMMAOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-4-3-5-14(16-10)15-9-11-6-7-12(18-2)8-13(11)17/h3-8,17H,9H2,1-2H3,(H,15,16).
What are the key properties of 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol?
5-methoxy-2-[[(6-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 5-methoxy-2-[[(6-methyl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 931311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).