2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline

C12H17NO — CID 11480947

IUPAC2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOCCN1CCc2ccccc2C1
InChIInChI=1S/C12H17NO/c1-14-9-8-13-7-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3
InChIKeySZZCXBDPQVOLHE-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.69
Rot. Bonds3

About 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline

2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline (PubChem CID 11480947) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline
PubChem CID11480947
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline
SMILESCOCCN1CCc2ccccc2C1
InChIInChI=1S/C12H17NO/c1-14-9-8-13-7-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3
InChIKeySZZCXBDPQVOLHE-UHFFFAOYSA-N
XLogP1.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline (CID 11480947) is 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline is COCCN1CCc2ccccc2C1.
What is the InChIKey of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is SZZCXBDPQVOLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-14-9-8-13-7-6-11-4-2-3-5-12(11)10-13/h2-5H,6-10H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline?
2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 191.27 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11480947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).