(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline

C12H17NO2 — CID 95366245

IUPAC(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1OC)CN[C@@H](C)C2
InChIInChI=1S/C12H17NO2/c1-8-6-9-4-5-11(14-2)12(15-3)10(9)7-13-8/h4-5,8,13H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyYACZCJYTOVQMDA-QMMMGPOBSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds2

About (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline

(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 95366245) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID95366245
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1OC)CN[C@@H](C)C2
InChIInChI=1S/C12H17NO2/c1-8-6-9-4-5-11(14-2)12(15-3)10(9)7-13-8/h4-5,8,13H,6-7H2,1-3H3/t8-/m0/s1
InChIKeyYACZCJYTOVQMDA-QMMMGPOBSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline (CID 95366245) is (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1OC)CN[C@@H](C)C2.
What is the InChIKey of (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YACZCJYTOVQMDA-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8-6-9-4-5-11(14-2)12(15-3)10(9)7-13-8/h4-5,8,13H,6-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline?
(3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 207.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7,8-dimethoxy-3-methyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 95366245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).