2,3-dihydro-1-benzofuran-7-amine;hydrobromide

C8H10BrNO — CID 168986288

IUPAC2,3-dihydro-1-benzofuran-7-amine;hydrobromide
SMILESBr.Nc1cccc2c1OCC2
InChIInChI=1S/C8H9NO.BrH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-3H,4-5,9H2;1H
InChIKeyTWXBEHAFMMZJAO-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.78
Rot. Bonds

About 2,3-dihydro-1-benzofuran-7-amine;hydrobromide

2,3-dihydro-1-benzofuran-7-amine;hydrobromide (PubChem CID 168986288) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-7-amine;hydrobromide.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-7-amine;hydrobromide
PubChem CID168986288
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name2,3-dihydro-1-benzofuran-7-amine;hydrobromide
SMILESBr.Nc1cccc2c1OCC2
InChIInChI=1S/C8H9NO.BrH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-3H,4-5,9H2;1H
InChIKeyTWXBEHAFMMZJAO-UHFFFAOYSA-N
XLogP1.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,3-dihydro-1-benzofuran-7-amine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-deuterio-2,3-dihydro-1-benzofuran-7-amine
CID 175816446
2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
CID 114746394
ethane;7-methyl-2,3-dihydro-1-benzofuran
CID 91503061
O-(2,3-dihydro-1-benzofuran-7-yl)hydroxylamine
CID 151508721
2,3-dihydro-1-benzofuran-7-ylhydrazine
CID 12805955
7-ethynyl-2,3-dihydro-1-benzofuran
CID 114746798
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
2,3-dihydro-1,4-benzodioxin-5-amine;ethane
CID 170590929
5-(2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117290116
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
CID 114747694
2-(2,3-dihydro-1-benzofuran-7-yl)-N'-hydroxyethanimidamide
CID 83878008
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2,2-trifluoroethanamine
CID 112704592

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-7-amine;hydrobromide?
The IUPAC name of 2,3-dihydro-1-benzofuran-7-amine;hydrobromide (CID 168986288) is 2,3-dihydro-1-benzofuran-7-amine;hydrobromide.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-7-amine;hydrobromide?
The canonical SMILES for 2,3-dihydro-1-benzofuran-7-amine;hydrobromide is Br.Nc1cccc2c1OCC2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-7-amine;hydrobromide?
The InChIKey is TWXBEHAFMMZJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.BrH/c9-7-3-1-2-6-4-5-10-8(6)7;/h1-3H,4-5,9H2;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-7-amine;hydrobromide?
2,3-dihydro-1-benzofuran-7-amine;hydrobromide has a molecular weight of 216.08 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-7-amine;hydrobromide is sourced from PubChem (CID 168986288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).