5-chloro-2-propyl-1,3-dihydroisoindole;ethane

C13H20ClN — CID 178136761

IUPAC5-chloro-2-propyl-1,3-dihydroisoindole;ethane
SMILESCC.CCCN1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C11H14ClN.C2H6/c1-2-5-13-7-9-3-4-11(12)6-10(9)8-13;1-2/h3-4,6H,2,5,7-8H2,1H3;1-2H3
InChIKeyJUFWGWUFPSZHKJ-UHFFFAOYSA-N
MW225.76 g/mol
LogP4.09
Rot. Bonds2

About 5-chloro-2-propyl-1,3-dihydroisoindole;ethane

5-chloro-2-propyl-1,3-dihydroisoindole;ethane (PubChem CID 178136761) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is 5-chloro-2-propyl-1,3-dihydroisoindole;ethane.

Molecular Properties

Compound Name5-chloro-2-propyl-1,3-dihydroisoindole;ethane
PubChem CID178136761
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name5-chloro-2-propyl-1,3-dihydroisoindole;ethane
SMILESCC.CCCN1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C11H14ClN.C2H6/c1-2-5-13-7-9-3-4-11(12)6-10(9)8-13;1-2/h3-4,6H,2,5,7-8H2,1H3;1-2H3
InChIKeyJUFWGWUFPSZHKJ-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-propyl-1,3-dihydroisoindole
CID 178136762
2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol
CID 82164081
5-methyl-2-propyl-1,3-dihydroisoindole
CID 130841289
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
4-(5-chloro-1,3-dihydroisoindol-2-yl)butanoic acid
CID 82164089
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
6-chloro-3-ethyl-2,4-dihydro-1,3-benzoxazine
CID 134384301
6-methyl-2-propyl-3,4-dihydro-1H-isoquinoline
CID 89043863
1-[(4-chlorophenyl)methyl]-4-propylpiperazine
CID 22196915
4-chloro-2-(4-propylpiperazin-1-yl)benzaldehyde
CID 114843885
2-[3-(4-chlorophenyl)propyl]-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 110456814
2-propyl-1,3-dihydropyrrolo[3,4-b]quinoxaline
CID 165347376

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-propyl-1,3-dihydroisoindole;ethane?
The IUPAC name of 5-chloro-2-propyl-1,3-dihydroisoindole;ethane (CID 178136761) is 5-chloro-2-propyl-1,3-dihydroisoindole;ethane.
What is the SMILES notation for 5-chloro-2-propyl-1,3-dihydroisoindole;ethane?
The canonical SMILES for 5-chloro-2-propyl-1,3-dihydroisoindole;ethane is CC.CCCN1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 5-chloro-2-propyl-1,3-dihydroisoindole;ethane?
The InChIKey is JUFWGWUFPSZHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN.C2H6/c1-2-5-13-7-9-3-4-11(12)6-10(9)8-13;1-2/h3-4,6H,2,5,7-8H2,1H3;1-2H3.
What are the key properties of 5-chloro-2-propyl-1,3-dihydroisoindole;ethane?
5-chloro-2-propyl-1,3-dihydroisoindole;ethane has a molecular weight of 225.76 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-propyl-1,3-dihydroisoindole;ethane is sourced from PubChem (CID 178136761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).