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

C9H10ClN — CID 12595071

IUPAC8-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1CNCC2
InChIInChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChIKeyHQSAGIBNZOOQQL-UHFFFAOYSA-N
MW167.64 g/mol
LogP1.99
Rot. Bonds

About 8-chloro-1,2,3,4-tetrahydroisoquinoline

8-chloro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 12595071) has the molecular formula C9H10ClN and a molecular weight of 167.64 g/mol. Its IUPAC name is 8-chloro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-chloro-1,2,3,4-tetrahydroisoquinoline
PubChem CID12595071
Molecular FormulaC9H10ClN
Molecular Weight167.64 g/mol
Exact Mass167.05
IUPAC Name8-chloro-1,2,3,4-tetrahydroisoquinoline
SMILESClc1cccc2c1CNCC2
InChIInChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChIKeyHQSAGIBNZOOQQL-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

8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
8-(trichloromethylsulfinyl)-1,2,3,4-tetrahydroisoquinoline
CID 23336581
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
6,8-dichloro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 12595080
3-chloro-2-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)benzamide
CID 114491033
8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959099
8-(3,5-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline
CID 106779504
8-[(4-chlorophenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104127
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
6-chloro-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridine
CID 130013859
8-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroisoquinoline
CID 23336540
6,7,8-trichloro-1,2,3,4-tetrahydroisoquinoline
CID 12595086

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-chloro-1,2,3,4-tetrahydroisoquinoline (CID 12595071) is 8-chloro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-chloro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-chloro-1,2,3,4-tetrahydroisoquinoline is Clc1cccc2c1CNCC2.
What is the InChIKey of 8-chloro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HQSAGIBNZOOQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2.
What are the key properties of 8-chloro-1,2,3,4-tetrahydroisoquinoline?
8-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 8-chloro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 12595071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).