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

C9H10ClN — CID 11789594

IUPAC6-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChIKeyNSURINBXOVVUNR-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.99
Rot. Bonds

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

6-chloro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 11789594) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 6-chloro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-chloro-1,2,3,4-tetrahydroisoquinoline
PubChem CID11789594
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name6-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1ccc2c(c1)CCNC2
InChIInChI=1S/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
InChIKeyNSURINBXOVVUNR-UHFFFAOYSA-N
XLogP1.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4-Tetrahydroisoquinoline
CID 7046
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CID 123920
4-(4-Chlorophenyl)-1,2,3,6-tetrahydropyridine
CID 185717
8-Chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
1-(3-Chlorobenzyl)piperazine
CID 764727
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
4-Chlorobenzylpiperazine
CID 134826
Benzyl-(4-chloro-benzyl)-amine
CID 816344
1,2,3,4-Tetrahydroisoquinoline Hydrochloride
CID 2734717
1-(4-Chlorophenyl)-1,4-dihydroisoquinoline-3-thiol
CID 5296715
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride
CID 123919

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-chloro-1,2,3,4-tetrahydroisoquinoline (CID 11789594) is 6-chloro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-chloro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-chloro-1,2,3,4-tetrahydroisoquinoline is Clc1ccc2c(c1)CCNC2.
What is the InChIKey of 6-chloro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NSURINBXOVVUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2.
What are the key properties of 6-chloro-1,2,3,4-tetrahydroisoquinoline?
6-chloro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 167.64 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 11789594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).