2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol

C11H17BrN2O — CID 115622576

IUPAC2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-2-5-14(6-7-15)9-11-4-3-10(12)8-13-11/h3-4,8,15H,2,5-7,9H2,1H3
InChIKeyUYXWJSFTJOODRV-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.05
Rot. Bonds6

About 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol

2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol (PubChem CID 115622576) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
PubChem CID115622576
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1ccc(Br)cn1
InChIInChI=1S/C11H17BrN2O/c1-2-5-14(6-7-15)9-11-4-3-10(12)8-13-11/h3-4,8,15H,2,5-7,9H2,1H3
InChIKeyUYXWJSFTJOODRV-UHFFFAOYSA-N
XLogP2.05
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Bromopyridin-2-yl)methanol
CID 5200169
2-(Bis-(2-pyridylmethyl)-amino)-ethanol
CID 340698
Ethanol, 2-((2-pyridinylmethyl)amino)-
CID 81135
3-Bromo-2-methylpyridine
CID 1201003
5-Bromo-2-methylpyridine
CID 1201020
US10183940, Example 1
CID 121339610
5-Bromo-2-ethylpyridine
CID 13979736
4-Bromo-2-ethylpyridine
CID 22317463
4-(5-Bromopyridin-3-yl)morpholine
CID 46739614
3-(5-Bromopyridin-2-yl)prop-2-yn-1-ol
CID 13979730
2-Propanol, 1-[(2-pyridinylmethyl)amino]-
CID 111406
2-{[(Pyridin-2-yl)methyl]amino}butan-1-ol
CID 4712765

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol (CID 115622576) is 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol?
The InChIKey is UYXWJSFTJOODRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-2-5-14(6-7-15)9-11-4-3-10(12)8-13-11/h3-4,8,15H,2,5-7,9H2,1H3.
What are the key properties of 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol?
2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol has a molecular weight of 273.17 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)methyl-propylamino]ethanol is sourced from PubChem (CID 115622576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).