(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

C12H17NO — CID 96722646

IUPAC(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C[C@@H](C)N[C@@H]2C
InChIInChI=1S/C12H17NO/c1-8-6-10-7-11(14-3)4-5-12(10)9(2)13-8/h4-5,7-9,13H,6H2,1-3H3/t8-,9-/m1/s1
InChIKeyWSGQMOPDSPIBDB-RKDXNWHRSA-N
MW191.27 g/mol
LogP2.29
Rot. Bonds1

About (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline

(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 96722646) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID96722646
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)C[C@@H](C)N[C@@H]2C
InChIInChI=1S/C12H17NO/c1-8-6-10-7-11(14-3)4-5-12(10)9(2)13-8/h4-5,7-9,13H,6H2,1-3H3/t8-,9-/m1/s1
InChIKeyWSGQMOPDSPIBDB-RKDXNWHRSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687418
(1R,3S)-1,3-dimethyl-6-propoxy-1,2,3,4-tetrahydroisoquinoline
CID 138040626
methyl 4-[(1S,3S)-6-methoxy-3-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]benzoate
CID 155125242
(3R)-6,8-dimethoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 122394142
(1S,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 15060562
(1S,3S)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-8-ol
CID 11790412
7-chloro-1-(4-methoxyphenyl)-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83970620
(1S,3S)-6-methoxy-1,3-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 125482234
(6-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 84620620
7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 68524779
7-chloro-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 83970609
methyl 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylate;hydroiodide
CID 19610257

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline (CID 96722646) is (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)C[C@@H](C)N[C@@H]2C.
What is the InChIKey of (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is WSGQMOPDSPIBDB-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-6-10-7-11(14-3)4-5-12(10)9(2)13-8/h4-5,7-9,13H,6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline?
(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 191.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 96722646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).