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

C10H12ClN — CID 83358431

IUPAC8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2cccc(Cl)c21
InChIInChI=1S/C10H12ClN/c1-7-10-8(5-6-12-7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3
InChIKeyXQJJFCORRLYLQE-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.55
Rot. Bonds

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

8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83358431) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID83358431
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC1NCCc2cccc(Cl)c21
InChIInChI=1S/C10H12ClN/c1-7-10-8(5-6-12-7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3
InChIKeyXQJJFCORRLYLQE-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline (CID 83358431) is 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline is CC1NCCc2cccc(Cl)c21.
What is the InChIKey of 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is XQJJFCORRLYLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-10-8(5-6-12-7)3-2-4-9(10)11/h2-4,7,12H,5-6H2,1H3.
What are the key properties of 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline?
8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 181.67 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83358431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).