2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol

C15H17BrN2O — CID 115610793

IUPAC2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C15H17BrN2O/c16-15-8-14(9-17-10-15)12-18(6-7-19)11-13-4-2-1-3-5-13/h1-5,8-10,19H,6-7,11-12H2
InChIKeyPQWJAHSBKKLHAY-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.84
Rot. Bonds6

About 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol

2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol (PubChem CID 115610793) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
PubChem CID115610793
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
SMILESOCCN(Cc1ccccc1)Cc1cncc(Br)c1
InChIInChI=1S/C15H17BrN2O/c16-15-8-14(9-17-10-15)12-18(6-7-19)11-13-4-2-1-3-5-13/h1-5,8-10,19H,6-7,11-12H2
InChIKeyPQWJAHSBKKLHAY-UHFFFAOYSA-N
XLogP2.84
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-bromo-N-[(5-bromo-3-pyridinyl)methyl]ethanamine
CID 104811260
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
2-[benzyl-[(4-bromophenyl)methyl]amino]ethanol;hydrochloride
CID 2845478
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
2-[(4-bromophenyl)methyl-(2-phenylethyl)amino]ethanol
CID 86942997
2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
CID 115586347
2-[benzyl-[(3,5-dimethylphenyl)methyl]amino]ethanol
CID 60684939
2-[benzyl-[2-(4-bromopyrazol-1-yl)ethyl]amino]ethanol
CID 111113292
3-bromo-5-(4-phenylbutyl)pyridine
CID 165047418
2-[benzyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 14800643
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol (CID 115610793) is 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol is OCCN(Cc1ccccc1)Cc1cncc(Br)c1.
What is the InChIKey of 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol?
The InChIKey is PQWJAHSBKKLHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-15-8-14(9-17-10-15)12-18(6-7-19)11-13-4-2-1-3-5-13/h1-5,8-10,19H,6-7,11-12H2.
What are the key properties of 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol?
2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol has a molecular weight of 321.22 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol is sourced from PubChem (CID 115610793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).