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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Related Compounds

6-methyl-2,3-dihydro-1H-isoindol-1-amine
CID 20773265
[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130987856
6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737218
6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 146013175
7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol
CID 83679545
(3R,4S)-4-(5-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 70647904
1-amino-6-chloro-2,3-dihydro-1H-inden-2-ol
CID 45043194
(4S)-6-chloro-4-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 86325815
(1R)-7-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94365199
4-chloro-2-(2,3-dihydro-1H-isoindol-1-yl)-N-methylaniline
CID 24974702
8-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720669
7-chloro-3-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 84720668

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).