6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

C14H21N — CID 144980703

IUPAC6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(cc1CC(C)C)CNCC2
InChIInChI=1S/C14H21N/c1-10(2)6-13-8-14-9-15-5-4-12(14)7-11(13)3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyQWLVKYGFYZWFSZ-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.84
Rot. Bonds2

About 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline

6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 144980703) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID144980703
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cc2c(cc1CC(C)C)CNCC2
InChIInChI=1S/C14H21N/c1-10(2)6-13-8-14-9-15-5-4-12(14)7-11(13)3/h7-8,10,15H,4-6,9H2,1-3H3
InChIKeyQWLVKYGFYZWFSZ-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline (CID 144980703) is 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is Cc1cc2c(cc1CC(C)C)CNCC2.
What is the InChIKey of 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is QWLVKYGFYZWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)6-13-8-14-9-15-5-4-12(14)7-11(13)3/h7-8,10,15H,4-6,9H2,1-3H3.
What are the key properties of 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline?
6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 203.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 144980703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).