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

C9H12ClNO2 — CID 119057116

IUPAC4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCOc1cccc2c1C(N)CO2.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-11-7-3-2-4-8-9(7)6(10)5-12-8;/h2-4,6H,5,10H2,1H3;1H
InChIKeyJCENRPPSQDYEBC-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.51
Rot. Bonds1

About 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 119057116) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID119057116
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCOc1cccc2c1C(N)CO2.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-11-7-3-2-4-8-9(7)6(10)5-12-8;/h2-4,6H,5,10H2,1H3;1H
InChIKeyJCENRPPSQDYEBC-UHFFFAOYSA-N
XLogP1.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 119057116) is 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is COc1cccc2c1C(N)CO2.Cl.
What is the InChIKey of 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is JCENRPPSQDYEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-11-7-3-2-4-8-9(7)6(10)5-12-8;/h2-4,6H,5,10H2,1H3;1H.
What are the key properties of 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 119057116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).