1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol

C12H17NO — CID 83967471

IUPAC1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESCCC1NC(C)C(O)c2ccccc21
InChIInChI=1S/C12H17NO/c1-3-11-9-6-4-5-7-10(9)12(14)8(2)13-11/h4-8,11-14H,3H2,1-2H3
InChIKeyUYJQABLHNLIOPO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.16
Rot. Bonds1

About 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol

1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol (PubChem CID 83967471) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol.

Molecular Properties

Compound Name1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
PubChem CID83967471
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol
SMILESCCC1NC(C)C(O)c2ccccc21
InChIInChI=1S/C12H17NO/c1-3-11-9-6-4-5-7-10(9)12(14)8(2)13-11/h4-8,11-14H,3H2,1-2H3
InChIKeyUYJQABLHNLIOPO-UHFFFAOYSA-N
XLogP2.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The IUPAC name of 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol (CID 83967471) is 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol.
What is the SMILES notation for 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The canonical SMILES for 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol is CCC1NC(C)C(O)c2ccccc21.
What is the InChIKey of 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
The InChIKey is UYJQABLHNLIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-11-9-6-4-5-7-10(9)12(14)8(2)13-11/h4-8,11-14H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol?
1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol has a molecular weight of 191.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-1,2,3,4-tetrahydroisoquinolin-4-ol is sourced from PubChem (CID 83967471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).