6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline

C11H14ClN — CID 168888866

IUPAC6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1cc2c(cc1Cl)CCNC2
InChIInChI=1S/C11H14ClN/c1-2-8-5-10-7-13-4-3-9(10)6-11(8)12/h5-6,13H,2-4,7H2,1H3
InChIKeyLVWFRKMYBOOBSR-UHFFFAOYSA-N
MW195.69 g/mol
LogP2.55
Rot. Bonds1

About 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline

6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 168888866) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID168888866
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCc1cc2c(cc1Cl)CCNC2
InChIInChI=1S/C11H14ClN/c1-2-8-5-10-7-13-4-3-9(10)6-11(8)12/h5-6,13H,2-4,7H2,1H3
InChIKeyLVWFRKMYBOOBSR-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline (CID 168888866) is 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline is CCc1cc2c(cc1Cl)CCNC2.
What is the InChIKey of 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LVWFRKMYBOOBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN/c1-2-8-5-10-7-13-4-3-9(10)6-11(8)12/h5-6,13H,2-4,7H2,1H3.
What are the key properties of 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline?
6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 195.69 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-ethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 168888866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).