2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol

C12H15BrFNO — CID 61036825

IUPAC2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C12H15BrFNO/c13-11-7-9(1-4-12(11)14)8-15(5-6-16)10-2-3-10/h1,4,7,10,16H,2-3,5-6,8H2
InChIKeyYLIZRKRNEZOXIR-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.54
Rot. Bonds5

About 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol

2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol (PubChem CID 61036825) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol.

Molecular Properties

Compound Name2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
PubChem CID61036825
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol
SMILESOCCN(Cc1ccc(F)c(Br)c1)C1CC1
InChIInChI=1S/C12H15BrFNO/c13-11-7-9(1-4-12(11)14)8-15(5-6-16)10-2-3-10/h1,4,7,10,16H,2-3,5-6,8H2
InChIKeyYLIZRKRNEZOXIR-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromo-4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)amino]ethanol
CID 111105354
3-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]propanethioamide
CID 54997392
N-(2-bromoethyl)-N-[(3-bromo-4-fluorophenyl)methyl]cyclohexanamine
CID 80674032
2-[[3-(aminomethyl)-4-fluorophenyl]methyl-cyclopentylamino]ethanol
CID 107878292
2-[cyclobutyl-[(4-fluorophenyl)methyl]amino]ethanol
CID 102676667
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107879297
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
2-[(3-bromo-2,6-difluorophenyl)methyl-cyclopentylamino]ethanol
CID 114166335
3-[2-(3-bromo-4-fluorophenyl)ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110900938
2-[cyclobutyl-[(3,5-difluorophenyl)methyl]amino]ethanol
CID 102676798
2-[(2-bromo-4-fluorophenyl)methyl-cyclobutylamino]ethanol
CID 102676936
2-[cyclopentyl-[(3,4-dimethylphenyl)methyl]amino]ethanol
CID 62015858

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol?
The IUPAC name of 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol (CID 61036825) is 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol.
What is the SMILES notation for 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol?
The canonical SMILES for 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol is OCCN(Cc1ccc(F)c(Br)c1)C1CC1.
What is the InChIKey of 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol?
The InChIKey is YLIZRKRNEZOXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-11-7-9(1-4-12(11)14)8-15(5-6-16)10-2-3-10/h1,4,7,10,16H,2-3,5-6,8H2.
What are the key properties of 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol?
2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol has a molecular weight of 288.16 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-4-fluorophenyl)methyl-cyclopropylamino]ethanol is sourced from PubChem (CID 61036825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).