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

C8H10ClNO — CID 47002508

IUPAC2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2ccccc21
InChIInChI=1S/C8H9NO.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H
InChIKeyIVRJMBYBAPVRHB-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.50
Rot. Bonds

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

2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 47002508) has the molecular formula C8H10ClNO and a molecular weight of 171.63 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID47002508
Molecular FormulaC8H10ClNO
Molecular Weight171.63 g/mol
Exact Mass171.05
IUPAC Name2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2ccccc21
InChIInChI=1S/C8H9NO.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H
InChIKeyIVRJMBYBAPVRHB-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 123465
6-(2-Aminopropyl)-2,3-dihydrobenzofuran
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5-Apdb
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2,3,4,5-Tetrahydro-1,4-benzoxazepine
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1-(4-Butoxyphenyl)ethanamine
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1-(o-Tolyloxy)propan-2-amine hydrochloride
CID 69263906
1-(4-Ethoxyphenyl)ethan-1-amine
CID 59831
2,3-Dihydro-1-benzofuran-5-ylmethanamine
CID 2735367

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 47002508) is 2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is IVRJMBYBAPVRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.ClH/c9-7-5-10-8-4-2-1-3-6(7)8;/h1-4,7H,5,9H2;1H.
What are the key properties of 2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 171.63 g/mol, XLogP of 1.50, 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-3-amine;hydrochloride is sourced from PubChem (CID 47002508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).