1-benzofuran-6-amine;hydrochloride

C8H8ClNO — CID 119057046

IUPAC1-benzofuran-6-amine;hydrochloride
SMILESCl.Nc1ccc2ccoc2c1
InChIInChI=1S/C8H7NO.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-5H,9H2;1H
InChIKeyFAFOIXPWCMVJEY-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.44
Rot. Bonds

About 1-benzofuran-6-amine;hydrochloride

1-benzofuran-6-amine;hydrochloride (PubChem CID 119057046) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 1-benzofuran-6-amine;hydrochloride.

Molecular Properties

Compound Name1-benzofuran-6-amine;hydrochloride
PubChem CID119057046
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name1-benzofuran-6-amine;hydrochloride
SMILESCl.Nc1ccc2ccoc2c1
InChIInChI=1S/C8H7NO.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-5H,9H2;1H
InChIKeyFAFOIXPWCMVJEY-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

Computed Properties (RDKit)

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

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Related Compounds

1-benzofuran-6-diazonium
CID 87769664
6,18-dioxahexacyclo[11.11.0.03,11.05,9.015,23.017,21]tetracosa-1(13),2,4,7,9,11,14,16,19,21,23-undecaene
CID 145018031
1-(1-benzofuran-6-yl)ethenol
CID 137387938
7-aminochromen-2-one;ethane
CID 166456004
6-(4-bromophenyl)-1-benzofuran
CID 152615797
5-methyl-1-benzofuran;6-methyl-1-benzofuran
CID 159816062
6-methyl-1-benzofuran;toluene
CID 156726353
6-dimethylphosphoryl-1-benzofuran
CID 137391559
1-benzofuran-5-diazonium
CID 87769506
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967
(NE)-N-[1-(1-benzofuran-6-yl)ethylidene]hydroxylamine
CID 87119506
2-(1-benzofuran-6-yl)pyrrolidine
CID 82602445

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-6-amine;hydrochloride?
The IUPAC name of 1-benzofuran-6-amine;hydrochloride (CID 119057046) is 1-benzofuran-6-amine;hydrochloride.
What is the SMILES notation for 1-benzofuran-6-amine;hydrochloride?
The canonical SMILES for 1-benzofuran-6-amine;hydrochloride is Cl.Nc1ccc2ccoc2c1.
What is the InChIKey of 1-benzofuran-6-amine;hydrochloride?
The InChIKey is FAFOIXPWCMVJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-5H,9H2;1H.
What are the key properties of 1-benzofuran-6-amine;hydrochloride?
1-benzofuran-6-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-6-amine;hydrochloride is sourced from PubChem (CID 119057046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).