2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol

C15H17BrN2O — CID 87710048

IUPAC2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol
SMILESCN(Cc1ccc(Br)nc1)c1ccccc1CCO
InChIInChI=1S/C15H17BrN2O/c1-18(11-12-6-7-15(16)17-10-12)14-5-3-2-4-13(14)8-9-19/h2-7,10,19H,8-9,11H2,1H3
InChIKeyLVUSWCNSDOKXGE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.02
Rot. Bonds5

About 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol

2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol (PubChem CID 87710048) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol
PubChem CID87710048
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol
SMILESCN(Cc1ccc(Br)nc1)c1ccccc1CCO
InChIInChI=1S/C15H17BrN2O/c1-18(11-12-6-7-15(16)17-10-12)14-5-3-2-4-13(14)8-9-19/h2-7,10,19H,8-9,11H2,1H3
InChIKeyLVUSWCNSDOKXGE-UHFFFAOYSA-N
XLogP3.02
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-3-pyridinyl)methyl-methylamino]phenyl]ethanol?
The IUPAC name of 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol (CID 87710048) is 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol?
The canonical SMILES for 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol is CN(Cc1ccc(Br)nc1)c1ccccc1CCO.
What is the InChIKey of 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol?
The InChIKey is LVUSWCNSDOKXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-18(11-12-6-7-15(16)17-10-12)14-5-3-2-4-13(14)8-9-19/h2-7,10,19H,8-9,11H2,1H3.
What are the key properties of 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol?
2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol has a molecular weight of 321.22 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-bromo-3-pyridinyl)methyl-methylamino]phenyl]ethanol is sourced from PubChem (CID 87710048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).