(1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline

C12H15NO2 — CID 68851695

IUPAC(1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](C)NC=C2
InChIInChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-8,13H,1-3H3/t8-/m0/s1
InChIKeyTXHNFJRYPPFYLN-QMMMGPOBSA-N
MW205.26 g/mol
LogP2.34
Rot. Bonds2

About (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline

(1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline (PubChem CID 68851695) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name(1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline
PubChem CID68851695
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](C)NC=C2
InChIInChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-8,13H,1-3H3/t8-/m0/s1
InChIKeyTXHNFJRYPPFYLN-QMMMGPOBSA-N
XLogP2.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline?
The IUPAC name of (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline (CID 68851695) is (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline.
What is the SMILES notation for (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline?
The canonical SMILES for (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline is COc1cc2c(cc1OC)[C@H](C)NC=C2.
What is the InChIKey of (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline?
The InChIKey is TXHNFJRYPPFYLN-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h4-8,13H,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline?
(1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline has a molecular weight of 205.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-dimethoxy-1-methyl-1,2-dihydroisoquinoline is sourced from PubChem (CID 68851695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).