2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol

C12H17NO — CID 21053894

IUPAC2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol
SMILESCC1c2ccccc2C(O)N(C)C1C
InChIInChI=1S/C12H17NO/c1-8-9(2)13(3)12(14)11-7-5-4-6-10(8)11/h4-9,12,14H,1-3H3
InChIKeyUYPPIEBOKRGISW-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.11
Rot. Bonds

About 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol

2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol (PubChem CID 21053894) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol.

Molecular Properties

Compound Name2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol
PubChem CID21053894
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol
SMILESCC1c2ccccc2C(O)N(C)C1C
InChIInChI=1S/C12H17NO/c1-8-9(2)13(3)12(14)11-7-5-4-6-10(8)11/h4-9,12,14H,1-3H3
InChIKeyUYPPIEBOKRGISW-UHFFFAOYSA-N
XLogP2.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2,3-dimethyl-1-propyl-2,3-dihydroindole
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1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
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3-butan-2-yl-2-tert-butyl-1,3-dihydroisoindol-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol?
The IUPAC name of 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol (CID 21053894) is 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol.
What is the SMILES notation for 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol?
The canonical SMILES for 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol is CC1c2ccccc2C(O)N(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol?
The InChIKey is UYPPIEBOKRGISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-9(2)13(3)12(14)11-7-5-4-6-10(8)11/h4-9,12,14H,1-3H3.
What are the key properties of 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol?
2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol has a molecular weight of 191.27 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol is sourced from PubChem (CID 21053894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).