4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine

C21H24N2O — CID 3068686

IUPAC4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCOCC1)C2
InChIInChI=1S/C21H24N2O/c1-16-7-8-18-14-19(15-23-9-11-24-12-10-23)22-21(20(18)13-16)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3
InChIKeySICPCDUXXFFOCG-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.09
Rot. Bonds3

About 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine

4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine (PubChem CID 3068686) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine
PubChem CID3068686
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCOCC1)C2
InChIInChI=1S/C21H24N2O/c1-16-7-8-18-14-19(15-23-9-11-24-12-10-23)22-21(20(18)13-16)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3
InChIKeySICPCDUXXFFOCG-UHFFFAOYSA-N
XLogP3.09
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine?
The IUPAC name of 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine (CID 3068686) is 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine.
What is the SMILES notation for 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine?
The canonical SMILES for 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine is Cc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCOCC1)C2.
What is the InChIKey of 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine?
The InChIKey is SICPCDUXXFFOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-7-8-18-14-19(15-23-9-11-24-12-10-23)22-21(20(18)13-16)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14-15H2,1H3.
What are the key properties of 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine?
4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine has a molecular weight of 320.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine is sourced from PubChem (CID 3068686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).