1-benzofuran-2-amine;hydrochloride

C8H8ClNO — CID 121231856

IUPAC1-benzofuran-2-amine;hydrochloride
SMILESCl.Nc1cc2ccccc2o1
InChIInChI=1S/C8H7NO.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5H,9H2;1H
InChIKeyOPRMMHFRDZMRLB-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.44
Rot. Bonds

About 1-benzofuran-2-amine;hydrochloride

1-benzofuran-2-amine;hydrochloride (PubChem CID 121231856) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-benzofuran-2-amine;hydrochloride.

Molecular Properties

Compound Name1-benzofuran-2-amine;hydrochloride
PubChem CID121231856
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-benzofuran-2-amine;hydrochloride
SMILESCl.Nc1cc2ccccc2o1
InChIInChI=1S/C8H7NO.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5H,9H2;1H
InChIKeyOPRMMHFRDZMRLB-UHFFFAOYSA-N
XLogP2.44
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-amine;hydrochloride?
The IUPAC name of 1-benzofuran-2-amine;hydrochloride (CID 121231856) is 1-benzofuran-2-amine;hydrochloride.
What is the SMILES notation for 1-benzofuran-2-amine;hydrochloride?
The canonical SMILES for 1-benzofuran-2-amine;hydrochloride is Cl.Nc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-amine;hydrochloride?
The InChIKey is OPRMMHFRDZMRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.ClH/c9-8-5-6-3-1-2-4-7(6)10-8;/h1-5H,9H2;1H.
What are the key properties of 1-benzofuran-2-amine;hydrochloride?
1-benzofuran-2-amine;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-amine;hydrochloride is sourced from PubChem (CID 121231856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).