2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol

C14H21NO3 — CID 26338876

IUPAC2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
SMILESCOc1cc2c(cc1OC)[C@@H](C)N(CCO)CC2
InChIInChI=1S/C14H21NO3/c1-10-12-9-14(18-3)13(17-2)8-11(12)4-5-15(10)6-7-16/h8-10,16H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyXHYSNVFKHDADAF-SNVBAGLBSA-N
MW251.33 g/mol
LogP1.62
Rot. Bonds4

About 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol

2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol (PubChem CID 26338876) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
PubChem CID26338876
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol
SMILESCOc1cc2c(cc1OC)[C@@H](C)N(CCO)CC2
InChIInChI=1S/C14H21NO3/c1-10-12-9-14(18-3)13(17-2)8-11(12)4-5-15(10)6-7-16/h8-10,16H,4-7H2,1-3H3/t10-/m1/s1
InChIKeyXHYSNVFKHDADAF-SNVBAGLBSA-N
XLogP1.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
CID 3390089
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 3130309
6,7-dimethoxy-1-methyl-2-prop-2-ynyl-3,4-dihydro-1H-isoquinoline
CID 3100797
6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 22646
3-[(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-ol
CID 126591841
2-[6,7-dimethoxy-2-(4-methylpentyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanol
CID 90750982
2-[(1R)-6,7-dimethoxy-2-(4-methylpentyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanol
CID 143088522
N-(3,4-dichlorophenyl)-2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 7680881
3-[[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]benzonitrile
CID 7692709
1-bromo-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 116995533
3-[(1S)-2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-hydroxyethyl]-N-hydroxybenzeneamine oxide
CID 163179666
2-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-[hydroxy(oxido)amino]phenyl]ethanol
CID 163179663

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol?
The IUPAC name of 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol (CID 26338876) is 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol.
What is the SMILES notation for 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol?
The canonical SMILES for 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol is COc1cc2c(cc1OC)[C@@H](C)N(CCO)CC2.
What is the InChIKey of 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol?
The InChIKey is XHYSNVFKHDADAF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-12-9-14(18-3)13(17-2)8-11(12)4-5-15(10)6-7-16/h8-10,16H,4-7H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol?
2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanol is sourced from PubChem (CID 26338876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).