2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol

C21H22N2O2 — CID 102407523

IUPAC2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN(Cc2cc(C)ccc2O)c2ccccn2)c1
InChIInChI=1S/C21H22N2O2/c1-15-6-8-19(24)17(11-15)13-23(21-5-3-4-10-22-21)14-18-12-16(2)7-9-20(18)25/h3-12,24-25H,13-14H2,1-2H3
InChIKeyXDNAIXBEXKIPAY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.32
Rot. Bonds5

About 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol

2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol (PubChem CID 102407523) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol
PubChem CID102407523
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CN(Cc2cc(C)ccc2O)c2ccccn2)c1
InChIInChI=1S/C21H22N2O2/c1-15-6-8-19(24)17(11-15)13-23(21-5-3-4-10-22-21)14-18-12-16(2)7-9-20(18)25/h3-12,24-25H,13-14H2,1-2H3
InChIKeyXDNAIXBEXKIPAY-UHFFFAOYSA-N
XLogP4.32
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.32
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

4-methyl-2-[(2-methyl-3-pyridinyl)methyl]phenol
CID 143626685
2-[N-[(2-hydroxy-5-methylphenyl)methyl]anilino]acetic acid
CID 65056920
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
4-methyl-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976772
1-[[2-[bis(pyridin-2-ylmethyl)amino]phenyl]diazenyl]-7-methylnaphthalen-2-ol
CID 163854351
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
(5-methyl-2-pyridin-2-ylphenyl)methanol
CID 132605733
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
2-[[bis(pyridin-2-ylmethyl)amino]methyl]-6-[[(2-hydroxyphenyl)methyl-(pyridin-2-ylmethyl)amino]methyl]-4-methylphenol;bis(ethane-1,1-diol);manganese
CID 153499818
N-methyl-N-(4-methylphenyl)pyridin-2-amine
CID 89072599
4-methyl-2-(4-pyridin-2-yl-1,3-thiazol-2-yl)phenol
CID 136843777

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol (CID 102407523) is 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol is Cc1ccc(O)c(CN(Cc2cc(C)ccc2O)c2ccccn2)c1.
What is the InChIKey of 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol?
The InChIKey is XDNAIXBEXKIPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-6-8-19(24)17(11-15)13-23(21-5-3-4-10-22-21)14-18-12-16(2)7-9-20(18)25/h3-12,24-25H,13-14H2,1-2H3.
What are the key properties of 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol?
2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol has a molecular weight of 334.42 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-5-methylphenyl)methyl-pyridin-2-ylamino]methyl]-4-methylphenol is sourced from PubChem (CID 102407523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).