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

C13H13BrN2O — CID 103934339

IUPAC2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(Br)nc2)c1
InChIInChI=1S/C13H13BrN2O/c1-9-2-4-12(17)10(6-9)7-15-11-3-5-13(14)16-8-11/h2-6,8,15,17H,7H2,1H3
InChIKeyZAYNXIWNQVARNB-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.47
Rot. Bonds3

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

2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol (PubChem CID 103934339) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
PubChem CID103934339
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(Br)nc2)c1
InChIInChI=1S/C13H13BrN2O/c1-9-2-4-12(17)10(6-9)7-15-11-3-5-13(14)16-8-11/h2-6,8,15,17H,7H2,1H3
InChIKeyZAYNXIWNQVARNB-UHFFFAOYSA-N
XLogP3.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.47
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-5-methyl-3-pyridinyl)amino]methyl]-4-methylphenol
CID 113379903
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]pyridin-3-amine
CID 103934347
2-[(4-hydroxyanilino)methyl]-4-methylphenol
CID 55205511
2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol
CID 63326553
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512
4-methyl-2-[(4-methylsulfonylanilino)methyl]phenol
CID 63323424
2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol?
The IUPAC name of 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol (CID 103934339) is 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol.
What is the SMILES notation for 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol?
The canonical SMILES for 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol is Cc1ccc(O)c(CNc2ccc(Br)nc2)c1.
What is the InChIKey of 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol?
The InChIKey is ZAYNXIWNQVARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-9-2-4-12(17)10(6-9)7-15-11-3-5-13(14)16-8-11/h2-6,8,15,17H,7H2,1H3.
What are the key properties of 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol?
2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol has a molecular weight of 293.16 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol is sourced from PubChem (CID 103934339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).