4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride

C8H10Cl2N2 — CID 13131607

IUPAC4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride
SMILESCl.NN1Cc2cccc(Cl)c2C1
InChIInChI=1S/C8H9ClN2.ClH/c9-8-3-1-2-6-4-11(10)5-7(6)8;/h1-3H,4-5,10H2;1H
InChIKeyWANXQLAUEMUFPA-UHFFFAOYSA-N
MW205.09 g/mol
LogP1.95
Rot. Bonds

About 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride

4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride (PubChem CID 13131607) has the molecular formula C8H10Cl2N2 and a molecular weight of 205.09 g/mol. Its IUPAC name is 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride
PubChem CID13131607
Molecular FormulaC8H10Cl2N2
Molecular Weight205.09 g/mol
Exact Mass204.02
IUPAC Name4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride
SMILESCl.NN1Cc2cccc(Cl)c2C1
InChIInChI=1S/C8H9ClN2.ClH/c9-8-3-1-2-6-4-11(10)5-7(6)8;/h1-3H,4-5,10H2;1H
InChIKeyWANXQLAUEMUFPA-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride?
The IUPAC name of 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride (CID 13131607) is 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride.
What is the SMILES notation for 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride?
The canonical SMILES for 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride is Cl.NN1Cc2cccc(Cl)c2C1.
What is the InChIKey of 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride?
The InChIKey is WANXQLAUEMUFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2.ClH/c9-8-3-1-2-6-4-11(10)5-7(6)8;/h1-3H,4-5,10H2;1H.
What are the key properties of 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride?
4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride has a molecular weight of 205.09 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dihydroisoindol-2-amine;hydrochloride is sourced from PubChem (CID 13131607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).