2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol

C10H12BrNO2 — CID 83901569

IUPAC2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESNC(CO)c1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C10H12BrNO2/c11-8-4-7(9(12)5-13)3-6-1-2-14-10(6)8/h3-4,9,13H,1-2,5,12H2
InChIKeyOPHPMZBPUPLHIS-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.38
Rot. Bonds2

About 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol

2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol (PubChem CID 83901569) has the molecular formula C10H12BrNO2 and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
PubChem CID83901569
Molecular FormulaC10H12BrNO2
Molecular Weight258.12 g/mol
Exact Mass257.01
IUPAC Name2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
SMILESNC(CO)c1cc(Br)c2c(c1)CCO2
InChIInChI=1S/C10H12BrNO2/c11-8-4-7(9(12)5-13)3-6-1-2-14-10(6)8/h3-4,9,13H,1-2,5,12H2
InChIKeyOPHPMZBPUPLHIS-UHFFFAOYSA-N
XLogP1.38
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901568
2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol
CID 84813640
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 66513598
(2S)-2-amino-2-(5-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 130617223
3-amino-3-(6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propan-1-ol
CID 62389187
3-amino-1-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 84808835
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
3-[(7-bromo-2,3-dihydro-1-benzofuran-5-yl)sulfanyl]propanoic acid
CID 91253018
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methylbutan-1-amine
CID 104541441

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol (CID 83901569) is 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol is NC(CO)c1cc(Br)c2c(c1)CCO2.
What is the InChIKey of 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol?
The InChIKey is OPHPMZBPUPLHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2/c11-8-4-7(9(12)5-13)3-6-1-2-14-10(6)8/h3-4,9,13H,1-2,5,12H2.
What are the key properties of 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol?
2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol has a molecular weight of 258.12 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 83901569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).