2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine

C17H22N2O — CID 170588997

IUPAC2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine
SMILESCc1ncc(CN2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-12-9-19(10-13(2)20-12)11-15-8-18-14(3)16-6-4-5-7-17(15)16/h4-8,12-13H,9-11H2,1-3H3
InChIKeyMQVXMMLTDCWCNL-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.15
Rot. Bonds2

About 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine

2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine (PubChem CID 170588997) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine
PubChem CID170588997
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine
SMILESCc1ncc(CN2CC(C)OC(C)C2)c2ccccc12
InChIInChI=1S/C17H22N2O/c1-12-9-19(10-13(2)20-12)11-15-8-18-14(3)16-6-4-5-7-17(15)16/h4-8,12-13H,9-11H2,1-3H3
InChIKeyMQVXMMLTDCWCNL-UHFFFAOYSA-N
XLogP3.15
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine (CID 170588997) is 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine is Cc1ncc(CN2CC(C)OC(C)C2)c2ccccc12.
What is the InChIKey of 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine?
The InChIKey is MQVXMMLTDCWCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-9-19(10-13(2)20-12)11-15-8-18-14(3)16-6-4-5-7-17(15)16/h4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine?
2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine has a molecular weight of 270.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(1-methylisoquinolin-4-yl)methyl]morpholine is sourced from PubChem (CID 170588997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).