2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol

C11H13BrFNO2 — CID 117468296

IUPAC2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
SMILESNCC(O)c1cc(F)cc(Br)c1OC1CC1
InChIInChI=1S/C11H13BrFNO2/c12-9-4-6(13)3-8(10(15)5-14)11(9)16-7-1-2-7/h3-4,7,10,15H,1-2,5,14H2
InChIKeyGDYIWAXVWICLHS-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol

2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol (PubChem CID 117468296) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
PubChem CID117468296
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol
SMILESNCC(O)c1cc(F)cc(Br)c1OC1CC1
InChIInChI=1S/C11H13BrFNO2/c12-9-4-6(13)3-8(10(15)5-14)11(9)16-7-1-2-7/h3-4,7,10,15H,1-2,5,14H2
InChIKeyGDYIWAXVWICLHS-UHFFFAOYSA-N
XLogP2.12
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117489126
(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methanol
CID 84710384
N-[(3-bromo-2-cyclopropyloxy-5-fluorophenyl)methyl]hydroxylamine
CID 117441591
1-(3-chloro-2-cyclopropyloxy-5-fluorophenyl)-2-(methylamino)ethanol
CID 117403462
1-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486565
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-amine
CID 117350804
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
3-amino-2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propanoic acid
CID 117426162
1-bromo-2-cyclohexyloxy-3,5-difluorobenzene
CID 146004216
3-(3-bromo-2-cyclopropyloxy-5-methylphenyl)butan-1-amine
CID 117480358
2-(3-bromo-2-cyclobutyloxy-5-fluorophenyl)propan-2-amine
CID 117486544
3-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)-1,2-oxazol-5-amine
CID 117498027

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol (CID 117468296) is 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol is NCC(O)c1cc(F)cc(Br)c1OC1CC1.
What is the InChIKey of 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol?
The InChIKey is GDYIWAXVWICLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c12-9-4-6(13)3-8(10(15)5-14)11(9)16-7-1-2-7/h3-4,7,10,15H,1-2,5,14H2.
What are the key properties of 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol?
2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol has a molecular weight of 290.13 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-2-cyclopropyloxy-5-fluorophenyl)ethanol is sourced from PubChem (CID 117468296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).