2,3-dihydro-1-benzofuran-5-amine;hydrochloride

C8H10ClNO — CID 24686263

IUPAC2,3-dihydro-1-benzofuran-5-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCO2
InChIInChI=1S/C8H9NO.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5H,3-4,9H2;1H
InChIKeyATQMKOMGSTWSLE-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.63
Rot. Bonds

About 2,3-dihydro-1-benzofuran-5-amine;hydrochloride

2,3-dihydro-1-benzofuran-5-amine;hydrochloride (PubChem CID 24686263) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-amine;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-amine;hydrochloride
PubChem CID24686263
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2,3-dihydro-1-benzofuran-5-amine;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCO2
InChIInChI=1S/C8H9NO.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5H,3-4,9H2;1H
InChIKeyATQMKOMGSTWSLE-UHFFFAOYSA-N
XLogP1.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-amine;hydrochloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-amine;hydrochloride (CID 24686263) is 2,3-dihydro-1-benzofuran-5-amine;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-amine;hydrochloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-amine;hydrochloride is Cl.Nc1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-amine;hydrochloride?
The InChIKey is ATQMKOMGSTWSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5H,3-4,9H2;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-5-amine;hydrochloride?
2,3-dihydro-1-benzofuran-5-amine;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.63, 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-5-amine;hydrochloride is sourced from PubChem (CID 24686263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).