2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol

C15H17BrN2O — CID 53251072

IUPAC2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol
SMILESCc1cc(Br)nc(NC(C)(C)c2ccccc2O)c1
InChIInChI=1S/C15H17BrN2O/c1-10-8-13(16)17-14(9-10)18-15(2,3)11-6-4-5-7-12(11)19/h4-9,19H,1-3H3,(H,17,18)
InChIKeySTRRFPGSYTYOPV-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.21
Rot. Bonds3

About 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol

2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol (PubChem CID 53251072) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol
PubChem CID53251072
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol
SMILESCc1cc(Br)nc(NC(C)(C)c2ccccc2O)c1
InChIInChI=1S/C15H17BrN2O/c1-10-8-13(16)17-14(9-10)18-15(2,3)11-6-4-5-7-12(11)19/h4-9,19H,1-3H3,(H,17,18)
InChIKeySTRRFPGSYTYOPV-UHFFFAOYSA-N
XLogP4.21
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.21
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol?
The IUPAC name of 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol (CID 53251072) is 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol.
What is the SMILES notation for 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol?
The canonical SMILES for 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol is Cc1cc(Br)nc(NC(C)(C)c2ccccc2O)c1.
What is the InChIKey of 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol?
The InChIKey is STRRFPGSYTYOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-10-8-13(16)17-14(9-10)18-15(2,3)11-6-4-5-7-12(11)19/h4-9,19H,1-3H3,(H,17,18).
What are the key properties of 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol?
2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol has a molecular weight of 321.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-bromo-4-methyl-2-pyridinyl)amino]propan-2-yl]phenol is sourced from PubChem (CID 53251072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).