(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine

C10H10BrNO — CID 155289805

IUPAC(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine
SMILESC[C@@H](N)c1cc(Br)cc2ccoc12
InChIInChI=1S/C10H10BrNO/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h2-6H,12H2,1H3/t6-/m1/s1
InChIKeyWNZBNCKDRIEULQ-ZCFIWIBFSA-N
MW240.10 g/mol
LogP3.21
Rot. Bonds1

About (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine

(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine (PubChem CID 155289805) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine
PubChem CID155289805
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine
SMILESC[C@@H](N)c1cc(Br)cc2ccoc12
InChIInChI=1S/C10H10BrNO/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h2-6H,12H2,1H3/t6-/m1/s1
InChIKeyWNZBNCKDRIEULQ-ZCFIWIBFSA-N
XLogP3.21
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine?
The IUPAC name of (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine (CID 155289805) is (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine is C[C@@H](N)c1cc(Br)cc2ccoc12.
What is the InChIKey of (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine?
The InChIKey is WNZBNCKDRIEULQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6(12)9-5-8(11)4-7-2-3-13-10(7)9/h2-6H,12H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine?
(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine has a molecular weight of 240.10 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 155289805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).