2-(5-bromo-1-benzofuran-7-yl)ethanamine

C10H10BrNO — CID 83898775

IUPAC2-(5-bromo-1-benzofuran-7-yl)ethanamine
SMILESNCCc1cc(Br)cc2ccoc12
InChIInChI=1S/C10H10BrNO/c11-9-5-7(1-3-12)10-8(6-9)2-4-13-10/h2,4-6H,1,3,12H2
InChIKeyXRUFYRXAGZZXRQ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.70
Rot. Bonds2

About 2-(5-bromo-1-benzofuran-7-yl)ethanamine

2-(5-bromo-1-benzofuran-7-yl)ethanamine (PubChem CID 83898775) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-7-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-7-yl)ethanamine
PubChem CID83898775
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name2-(5-bromo-1-benzofuran-7-yl)ethanamine
SMILESNCCc1cc(Br)cc2ccoc12
InChIInChI=1S/C10H10BrNO/c11-9-5-7(1-3-12)10-8(6-9)2-4-13-10/h2,4-6H,1,3,12H2
InChIKeyXRUFYRXAGZZXRQ-UHFFFAOYSA-N
XLogP2.70
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1-benzofuran-7-yl)ethanamine
CID 22144824
2-(5-bromo-1-benzofuran-7-yl)acetic acid
CID 83900977
(1R)-1-(5-bromo-1-benzofuran-7-yl)ethanamine
CID 155289805
6-(2-aminoethyl)-1-benzofuran-5-ol
CID 83874684
2-(2,4-dibromophenyl)ethanamine
CID 73012416
7-(2-aminoethyl)-5-bromo-3H-1,3-benzoxazol-2-one
CID 83901397
7-(2-aminoethyl)-5-bromo-3-methyl-1,3-benzoxazol-2-one
CID 83903533
2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluoro-N-[N'-(5-pyrrolidin-1-ylpentyl)carbamimidoyl]benzamide
CID 10030269
2-[3-(2-aminoethyl)-2-bromophenyl]ethanamine
CID 170868655
2-[5-bromo-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 54931327
2-[[amino-[[2-[2-(5-bromo-1-benzofuran-7-yl)ethyl]-3-fluorobenzoyl]amino]methylidene]amino]-2-piperidin-4-ylacetic acid
CID 59701026
2-(6-methoxy-1-benzofuran-5-yl)ethanamine;hydrochloride
CID 135381759

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-7-yl)ethanamine?
The IUPAC name of 2-(5-bromo-1-benzofuran-7-yl)ethanamine (CID 83898775) is 2-(5-bromo-1-benzofuran-7-yl)ethanamine.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-7-yl)ethanamine?
The canonical SMILES for 2-(5-bromo-1-benzofuran-7-yl)ethanamine is NCCc1cc(Br)cc2ccoc12.
What is the InChIKey of 2-(5-bromo-1-benzofuran-7-yl)ethanamine?
The InChIKey is XRUFYRXAGZZXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c11-9-5-7(1-3-12)10-8(6-9)2-4-13-10/h2,4-6H,1,3,12H2.
What are the key properties of 2-(5-bromo-1-benzofuran-7-yl)ethanamine?
2-(5-bromo-1-benzofuran-7-yl)ethanamine has a molecular weight of 240.10 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-7-yl)ethanamine is sourced from PubChem (CID 83898775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).