4-chloro-2,3-dihydro-1H-isoindole;hydrochloride

C8H9Cl2N — CID 42609644

IUPAC4-chloro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Clc1cccc2c1CNC2
InChIInChI=1S/C8H8ClN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
InChIKeyBHGGKDRWZHDWRI-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.37
Rot. Bonds

About 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride

4-chloro-2,3-dihydro-1H-isoindole;hydrochloride (PubChem CID 42609644) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride.

Molecular Properties

Compound Name4-chloro-2,3-dihydro-1H-isoindole;hydrochloride
PubChem CID42609644
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name4-chloro-2,3-dihydro-1H-isoindole;hydrochloride
SMILESCl.Clc1cccc2c1CNC2
InChIInChI=1S/C8H8ClN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H
InChIKeyBHGGKDRWZHDWRI-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isoindoline
CID 422478
8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
2,3-dihydro-1H-isoindole hydrochloride
CID 12311031
5-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595083
((3-Chlorophenyl)methyl)(methyl)amine hydrochloride
CID 12755946
Aganodine
CID 176878
2-(2-Chloroethyl)isoindoline hydrochloride
CID 49774
2-(3-Chlorophenyl)pyrrolidine
CID 4579806
2-Chloro-6-methylbenzylamine
CID 521799
2-(2-Chlorophenyl)pyrrolidine
CID 3719582
N-(2,5-Dichlorobenzyl)-N-methylamine
CID 485428
Benzenemethanamine, 2,5-dichloro-N-ethyl-
CID 485429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride?
The IUPAC name of 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride (CID 42609644) is 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride.
What is the SMILES notation for 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride?
The canonical SMILES for 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride is Cl.Clc1cccc2c1CNC2.
What is the InChIKey of 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride?
The InChIKey is BHGGKDRWZHDWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H.
What are the key properties of 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride?
4-chloro-2,3-dihydro-1H-isoindole;hydrochloride has a molecular weight of 190.07 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,3-dihydro-1H-isoindole;hydrochloride is sourced from PubChem (CID 42609644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).