6-chloro-2,3-dihydro-1H-isoindol-1-amine

C8H9ClN2 — CID 145207105

IUPAC6-chloro-2,3-dihydro-1H-isoindol-1-amine
SMILESNC1NCc2ccc(Cl)cc21
InChIInChI=1S/C8H9ClN2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,8,11H,4,10H2
InChIKeyLAQSLVRCRFHDGE-UHFFFAOYSA-N
MW168.63 g/mol
LogP1.40
Rot. Bonds

About 6-chloro-2,3-dihydro-1H-isoindol-1-amine

6-chloro-2,3-dihydro-1H-isoindol-1-amine (PubChem CID 145207105) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 6-chloro-2,3-dihydro-1H-isoindol-1-amine.

Molecular Properties

Compound Name6-chloro-2,3-dihydro-1H-isoindol-1-amine
PubChem CID145207105
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name6-chloro-2,3-dihydro-1H-isoindol-1-amine
SMILESNC1NCc2ccc(Cl)cc21
InChIInChI=1S/C8H9ClN2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,8,11H,4,10H2
InChIKeyLAQSLVRCRFHDGE-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-dihydro-1H-isoindol-1-amine?
The IUPAC name of 6-chloro-2,3-dihydro-1H-isoindol-1-amine (CID 145207105) is 6-chloro-2,3-dihydro-1H-isoindol-1-amine.
What is the SMILES notation for 6-chloro-2,3-dihydro-1H-isoindol-1-amine?
The canonical SMILES for 6-chloro-2,3-dihydro-1H-isoindol-1-amine is NC1NCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2,3-dihydro-1H-isoindol-1-amine?
The InChIKey is LAQSLVRCRFHDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,8,11H,4,10H2.
What are the key properties of 6-chloro-2,3-dihydro-1H-isoindol-1-amine?
6-chloro-2,3-dihydro-1H-isoindol-1-amine has a molecular weight of 168.63 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-dihydro-1H-isoindol-1-amine is sourced from PubChem (CID 145207105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).