2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol

C14H15BrN2O — CID 113379903

IUPAC2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2cnc(Br)c(C)c2)c1
InChIInChI=1S/C14H15BrN2O/c1-9-3-4-13(18)11(5-9)7-16-12-6-10(2)14(15)17-8-12/h3-6,8,16,18H,7H2,1-2H3
InChIKeyACWBOUAIAWGGOC-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.78
Rot. Bonds3

About 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol

2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol (PubChem CID 113379903) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
PubChem CID113379903
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2cnc(Br)c(C)c2)c1
InChIInChI=1S/C14H15BrN2O/c1-9-3-4-13(18)11(5-9)7-16-12-6-10(2)14(15)17-8-12/h3-6,8,16,18H,7H2,1-2H3
InChIKeyACWBOUAIAWGGOC-UHFFFAOYSA-N
XLogP3.78
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
CID 103934339
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
6-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114059939
6-bromo-N-[(2,5-difluorophenyl)methyl]-5-methylpyridin-3-amine
CID 113379891
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol
CID 63326553
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
4-methyl-2-[(3-methyl-4-nitroanilino)methyl]phenol
CID 63324660
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512
2-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]-4-chlorophenol
CID 114050301
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol (CID 113379903) is 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNc2cnc(Br)c(C)c2)c1.
What is the InChIKey of 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol?
The InChIKey is ACWBOUAIAWGGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-3-4-13(18)11(5-9)7-16-12-6-10(2)14(15)17-8-12/h3-6,8,16,18H,7H2,1-2H3.
What are the key properties of 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol?
2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol has a molecular weight of 307.19 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-bromo-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 113379903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).