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

C8H9Cl2NO — CID 71742124

IUPAC6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(Cl)ccc21
InChIInChI=1S/C8H8ClNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
InChIKeyFNDBVJRISNWNHM-UHFFFAOYSA-N
MW206.07 g/mol
LogP2.15
Rot. Bonds

About 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (PubChem CID 71742124) has the molecular formula C8H9Cl2NO and a molecular weight of 206.07 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
PubChem CID71742124
Molecular FormulaC8H9Cl2NO
Molecular Weight206.07 g/mol
Exact Mass205.01
IUPAC Name6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
SMILESCl.NC1COc2cc(Cl)ccc21
InChIInChI=1S/C8H8ClNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
InChIKeyFNDBVJRISNWNHM-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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Related Compounds

3-Amino-2,3-dihydrobenzofuran
CID 13778152
(R)-2-(4-chlorophenoxy)-1-phenylethanamine
CID 11253662
2-Benzofuranmethylamine, 2,3-dihydro-5-chloro-, hydrochloride
CID 34439
(4-Chloro-2-methoxyphenyl)methanamine
CID 50989198
(S)-2-(4-chlorophenoxy)-1-phenylethanamine
CID 11459294
5-Amino-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin hydrochloride
CID 37754
8-Chloro-N,N-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
CID 37758
1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-8-chloro-N-methyl-N-2-propenyl-, hydrochloride
CID 37760
7-Chloro-3,4-dihydro-2H-1-benzopyran-3-amine--hydrogen chloride (1/1)
CID 3041602
7-Chloro-3,4-dihydro-2H-1-benzopyran-3-amine
CID 3041603
(R)-6-Chlorochroman-4-amine
CID 42220764
2,3-Dihydro-1-benzofuran-3-amine hydrochloride
CID 47002508

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The IUPAC name of 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride (CID 71742124) is 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride.
What is the SMILES notation for 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The canonical SMILES for 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is Cl.NC1COc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
The InChIKey is FNDBVJRISNWNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H.
What are the key properties of 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride?
6-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 6-chloro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride is sourced from PubChem (CID 71742124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).