6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline

C15H18ClN — CID 102577249

IUPAC6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline
SMILESClc1ccc2c(c1)CCN=C2C1CCCCC1
InChIInChI=1S/C15H18ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyVXXQWJSLVJEKHT-UHFFFAOYSA-N
MW247.77 g/mol
LogP4.27
Rot. Bonds1

About 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline

6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline (PubChem CID 102577249) has the molecular formula C15H18ClN and a molecular weight of 247.77 g/mol. Its IUPAC name is 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline
PubChem CID102577249
Molecular FormulaC15H18ClN
Molecular Weight247.77 g/mol
Exact Mass247.11
IUPAC Name6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline
SMILESClc1ccc2c(c1)CCN=C2C1CCCCC1
InChIInChI=1S/C15H18ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2
InChIKeyVXXQWJSLVJEKHT-UHFFFAOYSA-N
XLogP4.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline?
The IUPAC name of 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline (CID 102577249) is 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline?
The canonical SMILES for 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline is Clc1ccc2c(c1)CCN=C2C1CCCCC1.
What is the InChIKey of 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline?
The InChIKey is VXXQWJSLVJEKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN/c16-13-6-7-14-12(10-13)8-9-17-15(14)11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9H2.
What are the key properties of 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline?
6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline has a molecular weight of 247.77 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclohexyl-3,4-dihydroisoquinoline is sourced from PubChem (CID 102577249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).