2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol

C14H21NO2 — CID 116995809

IUPAC2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
SMILESCOc1ccc2c(c1)C(C(C)(C)O)N(C)CC2
InChIInChI=1S/C14H21NO2/c1-14(2,16)13-12-9-11(17-4)6-5-10(12)7-8-15(13)3/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyILHUZRURYGRROQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.00
Rot. Bonds2

About 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol

2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol (PubChem CID 116995809) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
PubChem CID116995809
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
SMILESCOc1ccc2c(c1)C(C(C)(C)O)N(C)CC2
InChIInChI=1S/C14H21NO2/c1-14(2,16)13-12-9-11(17-4)6-5-10(12)7-8-15(13)3/h5-6,9,13,16H,7-8H2,1-4H3
InChIKeyILHUZRURYGRROQ-UHFFFAOYSA-N
XLogP2.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropanoic acid
CID 116995782
2-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995526
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-(methylamino)acetic acid
CID 116995834
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butanoic acid
CID 116995784
4-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-amine
CID 116995755
3-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)-2-methylpropan-1-amine
CID 116995754
4-(7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl)aniline
CID 68734998
4-[(5S)-7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-yl]aniline
CID 129389241
7-fluoro-2-methyl-1-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 70259591
1-[1-(2-chlorophenyl)cyclobutyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
CID 22406815

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol?
The IUPAC name of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol (CID 116995809) is 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol.
What is the SMILES notation for 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol?
The canonical SMILES for 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol is COc1ccc2c(c1)C(C(C)(C)O)N(C)CC2.
What is the InChIKey of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol?
The InChIKey is ILHUZRURYGRROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,16)13-12-9-11(17-4)6-5-10(12)7-8-15(13)3/h5-6,9,13,16H,7-8H2,1-4H3.
What are the key properties of 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol?
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol is sourced from PubChem (CID 116995809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).