5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane

C11H16ClN — CID 156822930

IUPAC5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane
SMILESCC.Cc1cc2c(cc1Cl)CNC2
InChIInChI=1S/C9H10ClN.C2H6/c1-6-2-7-4-11-5-8(7)3-9(6)10;1-2/h2-3,11H,4-5H2,1H3;1-2H3
InChIKeyQEDNEVKFFLOSIJ-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.28
Rot. Bonds

About 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane

5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane (PubChem CID 156822930) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane.

Molecular Properties

Compound Name5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane
PubChem CID156822930
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane
SMILESCC.Cc1cc2c(cc1Cl)CNC2
InChIInChI=1S/C9H10ClN.C2H6/c1-6-2-7-4-11-5-8(7)3-9(6)10;1-2/h2-3,11H,4-5H2,1H3;1-2H3
InChIKeyQEDNEVKFFLOSIJ-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-dichloro-2,4-dimethylbenzene
CID 4174838
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
6-chloro-5-methyl-2,3-dihydro-1H-indole
CID 22186080
6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 54262102
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
(2R)-7-chloro-2,6-dimethyl-1,2,3,4-tetrahydroquinoline
CID 96570849
5-chloro-6-methyl-1,3-dihydroisoindole-2-carboxylic acid
CID 141148713
5-chloro-6-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 162379664
6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 168888866
7-chloro-6-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 84666630
5-chloro-6-piperidin-1-yl-2,3-dihydro-1H-isoindole;hydrochloride
CID 68824080
7-chloro-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 84659348

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane?
The IUPAC name of 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane (CID 156822930) is 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane.
What is the SMILES notation for 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane?
The canonical SMILES for 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane is CC.Cc1cc2c(cc1Cl)CNC2.
What is the InChIKey of 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane?
The InChIKey is QEDNEVKFFLOSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.C2H6/c1-6-2-7-4-11-5-8(7)3-9(6)10;1-2/h2-3,11H,4-5H2,1H3;1-2H3.
What are the key properties of 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane?
5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane has a molecular weight of 197.71 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2,3-dihydro-1H-isoindole;ethane is sourced from PubChem (CID 156822930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).