6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

C11H15N — CID 62375581

IUPAC6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(C)c2c(c1)CCNC2
InChIInChI=1S/C11H15N/c1-8-5-9(2)11-7-12-4-3-10(11)6-8/h5-6,12H,3-4,7H2,1-2H3
InChIKeyZFPWKVIUPYDEFE-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.95
Rot. Bonds

About 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline

6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 62375581) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID62375581
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc(C)c2c(c1)CCNC2
InChIInChI=1S/C11H15N/c1-8-5-9(2)11-7-12-4-3-10(11)6-8/h5-6,12H,3-4,7H2,1-2H3
InChIKeyZFPWKVIUPYDEFE-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 62375581) is 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline is Cc1cc(C)c2c(c1)CCNC2.
What is the InChIKey of 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZFPWKVIUPYDEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-5-9(2)11-7-12-4-3-10(11)6-8/h5-6,12H,3-4,7H2,1-2H3.
What are the key properties of 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline?
6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 161.25 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 62375581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).