4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine

C16H24N2O — CID 59017452

IUPAC4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
SMILESCc1ccc2c(c1)CN(CCN1CCOCC1)CC2
InChIInChI=1S/C16H24N2O/c1-14-2-3-15-4-5-18(13-16(15)12-14)7-6-17-8-10-19-11-9-17/h2-3,12H,4-11,13H2,1H3
InChIKeyQMXJFKOZCRIICH-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.69
Rot. Bonds3

About 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine

4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine (PubChem CID 59017452) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
PubChem CID59017452
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
SMILESCc1ccc2c(c1)CN(CCN1CCOCC1)CC2
InChIInChI=1S/C16H24N2O/c1-14-2-3-15-4-5-18(13-16(15)12-14)7-6-17-8-10-19-11-9-17/h2-3,12H,4-11,13H2,1H3
InChIKeyQMXJFKOZCRIICH-UHFFFAOYSA-N
XLogP1.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine (CID 59017452) is 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine is Cc1ccc2c(c1)CN(CCN1CCOCC1)CC2.
What is the InChIKey of 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
The InChIKey is QMXJFKOZCRIICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-2-3-15-4-5-18(13-16(15)12-14)7-6-17-8-10-19-11-9-17/h2-3,12H,4-11,13H2,1H3.
What are the key properties of 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine?
4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine has a molecular weight of 260.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine is sourced from PubChem (CID 59017452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).