5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol

C14H16N2O2 — CID 103824039

IUPAC5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cncc(C)c2)c(O)c1
InChIInChI=1S/C14H16N2O2/c1-10-5-12(9-15-7-10)16-8-11-3-4-13(18-2)6-14(11)17/h3-7,9,16-17H,8H2,1-2H3
InChIKeyKJKFNLRZBYUNAY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.72
Rot. Bonds4

About 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol

5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 103824039) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
PubChem CID103824039
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCOc1ccc(CNc2cncc(C)c2)c(O)c1
InChIInChI=1S/C14H16N2O2/c1-10-5-12(9-15-7-10)16-8-11-3-4-13(18-2)6-14(11)17/h3-7,9,16-17H,8H2,1-2H3
InChIKeyKJKFNLRZBYUNAY-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

2-[(3-bromo-4-methylanilino)methyl]-5-methoxyphenol
CID 63333359
2-[(4-fluoroanilino)methyl]-5-methoxyphenol
CID 61270048
2-[(3-bromoanilino)methyl]-5-methoxyphenol
CID 61267663
2-[(2,5-dimethylanilino)methyl]-5-methoxyphenol
CID 61267847
5-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 115748884
5-bromo-2-[(4-methoxyanilino)methyl]phenol
CID 86023506
4-[(2-hydroxy-4-methoxyphenyl)methylamino]benzoic acid
CID 61262129
2-[(3-fluoro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61263249
2-[(3-chloro-4-methoxyanilino)methyl]-5-methoxyphenol
CID 61268573
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
N-[(2-fluoro-5-methylphenyl)methyl]-5-methylpyridin-3-amine
CID 103824043
2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol (CID 103824039) is 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol is COc1ccc(CNc2cncc(C)c2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is KJKFNLRZBYUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-5-12(9-15-7-10)16-8-11-3-4-13(18-2)6-14(11)17/h3-7,9,16-17H,8H2,1-2H3.
What are the key properties of 5-methoxy-2-[[(5-methyl-3-pyridinyl)amino]methyl]phenol?
5-methoxy-2-[[(5-methyl-3-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-[[(5-methyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 103824039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).