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

C11H15BrN2O — CID 115586347

IUPAC2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cncc(Br)c1)C1CC1
InChIInChI=1S/C11H15BrN2O/c12-10-5-9(6-13-7-10)8-14(3-4-15)11-1-2-11/h5-7,11,15H,1-4,8H2
InChIKeyJBWZWZXJGAYISH-UHFFFAOYSA-N
MW271.16 g/mol
LogP1.80
Rot. Bonds5

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

2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol (PubChem CID 115586347) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
PubChem CID115586347
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1cncc(Br)c1)C1CC1
InChIInChI=1S/C11H15BrN2O/c12-10-5-9(6-13-7-10)8-14(3-4-15)11-1-2-11/h5-7,11,15H,1-4,8H2
InChIKeyJBWZWZXJGAYISH-UHFFFAOYSA-N
XLogP1.80
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-bromo-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102848808
N-[(5-bromo-3-pyridinyl)methyl]-N-propylcyclopropanamine
CID 115611852
2-[(5-bromo-3-pyridinyl)methyl-cyclopentylamino]acetamide
CID 113224901
2-[(5-bromo-3-pyridinyl)-cyclopropylamino]ethanol
CID 104531645
2-[[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]methyl]aniline
CID 104798300
2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
N-(2-bromoethyl)-N-[(5-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 102878934
2-[(5-bromo-3-pyridinyl)methyl-butylamino]ethanol
CID 115586341
2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
CID 61036825
2-[(3-bromophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 71932836
2-[cyclopentyl(pyridin-4-ylmethyl)amino]ethanol
CID 62014276
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol (CID 115586347) is 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol is OCCN(Cc1cncc(Br)c1)C1CC1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol?
The InChIKey is JBWZWZXJGAYISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-5-9(6-13-7-10)8-14(3-4-15)11-1-2-11/h5-7,11,15H,1-4,8H2.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol?
2-[(5-bromo-3-pyridinyl)methyl-cyclopropylamino]ethanol has a molecular weight of 271.16 g/mol, XLogP of 1.80, 5 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-cyclopropylamino]ethanol is sourced from PubChem (CID 115586347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).