2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol

C12H17NO — CID 105445307

IUPAC2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
SMILESCN1CCc2cc(CCO)ccc2C1
InChIInChI=1S/C12H17NO/c1-13-6-4-11-8-10(5-7-14)2-3-12(11)9-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyFNWOKPUYOXSNPY-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.21
Rot. Bonds2

About 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol

2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol (PubChem CID 105445307) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol.

Molecular Properties

Compound Name2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
PubChem CID105445307
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
SMILESCN1CCc2cc(CCO)ccc2C1
InChIInChI=1S/C12H17NO/c1-13-6-4-11-8-10(5-7-14)2-3-12(11)9-13/h2-3,8,14H,4-7,9H2,1H3
InChIKeyFNWOKPUYOXSNPY-UHFFFAOYSA-N
XLogP1.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methylphosphane
CID 155201597
3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl)propan-1-ol
CID 105474725
2-methyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 143655275
4-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)butan-2-ol
CID 105493498
1-fluoro-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]hydrazine
CID 170078388
2-methyl-1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)propan-2-ol
CID 105474708
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
methanol;2-methyl-3,4-dihydro-1H-isoquinoline
CID 142001874
7-(cyclopentylmethyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 170099956
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol
CID 115105893
(2-phosphanyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
CID 90944777

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol?
The IUPAC name of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol (CID 105445307) is 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol.
What is the SMILES notation for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol?
The canonical SMILES for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol is CN1CCc2cc(CCO)ccc2C1.
What is the InChIKey of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol?
The InChIKey is FNWOKPUYOXSNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-13-6-4-11-8-10(5-7-14)2-3-12(11)9-13/h2-3,8,14H,4-7,9H2,1H3.
What are the key properties of 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol?
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol is sourced from PubChem (CID 105445307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).