3H-isoindol-1-amine;hydrochloride

C8H9ClN2 — CID 2795203

IUPAC3H-isoindol-1-amine;hydrochloride
SMILESCl.NC1=NCc2ccccc21
InChIInChI=1S/C8H8N2.ClH/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2,(H2,9,10);1H
InChIKeyMRLAJFUGSBSFDH-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.33
Rot. Bonds

About 3H-isoindol-1-amine;hydrochloride

3H-isoindol-1-amine;hydrochloride (PubChem CID 2795203) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 3H-isoindol-1-amine;hydrochloride.

Molecular Properties

Compound Name3H-isoindol-1-amine;hydrochloride
PubChem CID2795203
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name3H-isoindol-1-amine;hydrochloride
SMILESCl.NC1=NCc2ccccc21
InChIInChI=1S/C8H8N2.ClH/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2,(H2,9,10);1H
InChIKeyMRLAJFUGSBSFDH-UHFFFAOYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-isoindol-1-amine;hydrochloride?
The IUPAC name of 3H-isoindol-1-amine;hydrochloride (CID 2795203) is 3H-isoindol-1-amine;hydrochloride.
What is the SMILES notation for 3H-isoindol-1-amine;hydrochloride?
The canonical SMILES for 3H-isoindol-1-amine;hydrochloride is Cl.NC1=NCc2ccccc21.
What is the InChIKey of 3H-isoindol-1-amine;hydrochloride?
The InChIKey is MRLAJFUGSBSFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.ClH/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2,(H2,9,10);1H.
What are the key properties of 3H-isoindol-1-amine;hydrochloride?
3H-isoindol-1-amine;hydrochloride has a molecular weight of 168.63 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-isoindol-1-amine;hydrochloride is sourced from PubChem (CID 2795203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).