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

C21H26Cl2N2O — CID 3068685

IUPAC4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCOCC1)C2.Cl.Cl
InChIInChI=1S/C21H24N2O.2ClH/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;2*1H
InChIKeyVVAMBDKOMUMCRN-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.93
Rot. Bonds3

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

4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride (PubChem CID 3068685) has the molecular formula C21H26Cl2N2O and a molecular weight of 393.36 g/mol. Its IUPAC name is 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride
PubChem CID3068685
Molecular FormulaC21H26Cl2N2O
Molecular Weight393.36 g/mol
Exact Mass392.14
IUPAC Name4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride
SMILESCc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCOCC1)C2.Cl.Cl
InChIInChI=1S/C21H24N2O.2ClH/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;2*1H
InChIKeyVVAMBDKOMUMCRN-UHFFFAOYSA-N
XLogP3.93
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.93
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;dihydrochloride?
The IUPAC name of 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride (CID 3068685) is 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride is Cc1ccc2c(c1)C(c1ccccc1)=NC(CN1CCOCC1)C2.Cl.Cl.
What is the InChIKey of 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride?
The InChIKey is VVAMBDKOMUMCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.2ClH/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;2*1H.
What are the key properties of 4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride?
4-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine;dihydrochloride has a molecular weight of 393.36 g/mol, XLogP of 3.93, 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;dihydrochloride is sourced from PubChem (CID 3068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).