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

C12H19BrN2O — CID 115586341

IUPAC2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-2-3-4-15(5-6-16)10-11-7-12(13)9-14-8-11/h7-9,16H,2-6,10H2,1H3
InChIKeyBDJRMDAYVFTGAY-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.44
Rot. Bonds7

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

2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol (PubChem CID 115586341) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
PubChem CID115586341
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
SMILESCCCCN(CCO)Cc1cncc(Br)c1
InChIInChI=1S/C12H19BrN2O/c1-2-3-4-15(5-6-16)10-11-7-12(13)9-14-8-11/h7-9,16H,2-6,10H2,1H3
InChIKeyBDJRMDAYVFTGAY-UHFFFAOYSA-N
XLogP2.44
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl-[(5-bromo-3-pyridinyl)methyl]amino]ethanol
CID 115610793
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
N-(2-chloroethyl)-N-[(5-methyl-3-pyridinyl)methyl]butan-1-amine
CID 102878811
2-[butyl-[(3,4-dichlorophenyl)methyl]amino]ethanol
CID 60689446
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
CID 115586347
3-[(5-bromo-3-pyridinyl)methyl-ethylamino]propanenitrile
CID 115673209
2-[benzyl(nonyl)amino]ethanol
CID 63469962
3-bromo-5-(butoxymethyl)pyridine
CID 104809821
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
2-[(2-bromo-4-fluorophenyl)methyl-butylamino]ethanol
CID 60967044
tert-butyl N-[(5-bromo-3-pyridinyl)methyl]-N-(2-hydroxyethyl)carbamate
CID 15541797

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol (CID 115586341) is 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol is CCCCN(CCO)Cc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol?
The InChIKey is BDJRMDAYVFTGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-2-3-4-15(5-6-16)10-11-7-12(13)9-14-8-11/h7-9,16H,2-6,10H2,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol?
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol has a molecular weight of 287.20 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol is sourced from PubChem (CID 115586341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).