(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine

C13H14BrNO2 — CID 113483617

IUPAC(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1cc2cc(Br)ccc2o1)C1CCOC1
InChIInChI=1S/C13H14BrNO2/c14-10-1-2-11-9(5-10)6-12(17-11)13(15)8-3-4-16-7-8/h1-2,5-6,8,13H,3-4,7,15H2
InChIKeyUEZWEBFWMDHFOO-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.23
Rot. Bonds2

About (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine

(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine (PubChem CID 113483617) has the molecular formula C13H14BrNO2 and a molecular weight of 296.16 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine
PubChem CID113483617
Molecular FormulaC13H14BrNO2
Molecular Weight296.16 g/mol
Exact Mass295.02
IUPAC Name(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine
SMILESNC(c1cc2cc(Br)ccc2o1)C1CCOC1
InChIInChI=1S/C13H14BrNO2/c14-10-1-2-11-9(5-10)6-12(17-11)13(15)8-3-4-16-7-8/h1-2,5-6,8,13H,3-4,7,15H2
InChIKeyUEZWEBFWMDHFOO-UHFFFAOYSA-N
XLogP3.23
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromonaphthalen-2-yl)-(oxolan-3-yl)methanol
CID 115798116
[1-benzofuran-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105218333
(1R)-1-(5-bromo-1-benzofuran-2-yl)prop-2-en-1-amine
CID 130713073
2-(4-bromophenyl)-1-(oxolan-3-yl)ethanamine
CID 61276449
(4-bromo-2-methylphenyl)-(oxan-3-yl)methanamine
CID 107136978
5-bromo-2-(1-bromoethyl)-1-benzofuran
CID 43141444
(5-tert-butyl-1-benzofuran-2-yl)-cyclopropylmethanamine
CID 65438710
(2-bromofuran-3-yl)-(oxolan-3-yl)methanamine
CID 106857614
(2,5-dibromophenyl)-(oxolan-3-yl)methanol
CID 61277086
1-(5-bromo-1-benzofuran-2-yl)ethanol
CID 11276522
(S)-(5-bromo-2-chlorophenyl)-(oxan-4-yl)methanamine
CID 131257309
[(6-bromonaphthalen-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 107139831

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine (CID 113483617) is (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine is NC(c1cc2cc(Br)ccc2o1)C1CCOC1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine?
The InChIKey is UEZWEBFWMDHFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2/c14-10-1-2-11-9(5-10)6-12(17-11)13(15)8-3-4-16-7-8/h1-2,5-6,8,13H,3-4,7,15H2.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine?
(5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine has a molecular weight of 296.16 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 113483617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).