1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline

C10H13NO — CID 134564811

IUPAC1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline
SMILES[2H]C1([2H])NCCc2cc(OC)ccc21
InChIInChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3/i7D2
InChIKeyYYTAYINRPUJPNH-RJSZUWSASA-N
MW165.23 g/mol
LogP1.34
Rot. Bonds1

About 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline

1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline (PubChem CID 134564811) has the molecular formula C10H13NO and a molecular weight of 165.23 g/mol. Its IUPAC name is 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline.

Molecular Properties

Compound Name1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline
PubChem CID134564811
Molecular FormulaC10H13NO
Molecular Weight165.23 g/mol
Exact Mass165.11
IUPAC Name1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline
SMILES[2H]C1([2H])NCCc2cc(OC)ccc21
InChIInChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3/i7D2
InChIKeyYYTAYINRPUJPNH-RJSZUWSASA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
5-iodo-8-methoxy-5-methyl-1,2,3,4-tetrahydro-3-benzazepine
CID 67206648
1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinolin-7-amine
CID 163217090
6-methoxyspiro[2,4-dihydro-1H-naphthalene-3,3'-azetidine]
CID 84620045
6-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 82277020
6,16-dimethoxy-11-methyl-11-azatricyclo[12.4.0.03,8]octadeca-1(14),3(8),4,6,15,17-hexaene
CID 11573806
8-methoxy-5,5-dimethyl-2,3-dihydro-1H-3-benzazepin-4-one
CID 168876558
5-ethyl-8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 154454244
7-ethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;dihydrochloride
CID 159371166
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
[(2R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]hydrazine
CID 124537599
(3S)-5-methoxyspiro[1,2-dihydroindene-3,2'-azetidine]
CID 124511846

Frequently Asked Questions

What is the IUPAC name of 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline?
The IUPAC name of 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline (CID 134564811) is 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline.
What is the SMILES notation for 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline?
The canonical SMILES for 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline is [2H]C1([2H])NCCc2cc(OC)ccc21.
What is the InChIKey of 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline?
The InChIKey is YYTAYINRPUJPNH-RJSZUWSASA-N. The full InChI is InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3/i7D2.
What are the key properties of 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline?
1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline has a molecular weight of 165.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dideuterio-6-methoxy-3,4-dihydro-2H-isoquinoline is sourced from PubChem (CID 134564811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).