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

C12H16BrNO2 — CID 84813640

IUPAC2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol
SMILESCC1(C)Cc2cc(C(N)CO)cc(Br)c2O1
InChIInChI=1S/C12H16BrNO2/c1-12(2)5-8-3-7(10(14)6-15)4-9(13)11(8)16-12/h3-4,10,15H,5-6,14H2,1-2H3
InChIKeyVGAGSVAPNMATER-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.15
Rot. Bonds2

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

2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol (PubChem CID 84813640) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol
PubChem CID84813640
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol
SMILESCC1(C)Cc2cc(C(N)CO)cc(Br)c2O1
InChIInChI=1S/C12H16BrNO2/c1-12(2)5-8-3-7(10(14)6-15)4-9(13)11(8)16-12/h3-4,10,15H,5-6,14H2,1-2H3
InChIKeyVGAGSVAPNMATER-UHFFFAOYSA-N
XLogP2.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(7-bromo-2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 83901569
7-bromo-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 15052932
2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol
CID 117354119
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
2-amino-2-(5-bromo-2,2-dimethyl-3H-1-benzofuran-7-yl)acetic acid
CID 117483102
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
2-amino-2-(3,4-dibromophenyl)ethanol
CID 77130608
(2R)-2-amino-2-(3,4-dibromophenyl)ethanol
CID 66515811
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
7-bromo-5-(1-isocyanatocyclopropyl)-2,2-dimethyl-3H-1-benzofuran
CID 117493003
2-amino-2-(3-bromo-4-methylsulfonylphenyl)ethanol
CID 117474476
7-(2-bromoethyl)-5-chloro-2,2-dimethyl-3H-1-benzofuran
CID 175293076

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol?
The IUPAC name of 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol (CID 84813640) is 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol is CC1(C)Cc2cc(C(N)CO)cc(Br)c2O1.
What is the InChIKey of 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol?
The InChIKey is VGAGSVAPNMATER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-12(2)5-8-3-7(10(14)6-15)4-9(13)11(8)16-12/h3-4,10,15H,5-6,14H2,1-2H3.
What are the key properties of 2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol?
2-amino-2-(7-bromo-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol has a molecular weight of 286.17 g/mol, XLogP of 2.15, 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-2,2-dimethyl-3H-1-benzofuran-5-yl)ethanol is sourced from PubChem (CID 84813640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).