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

C8H9Cl2NO — CID 71742122

IUPAC4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cccc(Cl)c21
InChIInChI=1S/C8H8ClNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H
InChIKeyDGIODMAWMUIYPH-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.15
Rot. Bonds

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

4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 71742122) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID71742122
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cccc(Cl)c21
InChIInChI=1S/C8H8ClNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H
InChIKeyDGIODMAWMUIYPH-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 71742122) is 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2cccc(Cl)c21.
What is the InChIKey of 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is DGIODMAWMUIYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H.
What are the key properties of 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride has a molecular weight of 206.07 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 71742122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).