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

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

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Related Compounds

Isoquinoline, 3,4-dihydro-3-((4-methyl-1-piperazinyl)methyl)-1-phenyl-, hydrate (5:3)
CID 3068604
N,N-Dimethyl-1-(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methanamine
CID 3068611
Isoquinoline, 3,4-dihydro-7-methyl-1-phenyl-3-(1-piperidinylmethyl)-, dihydrochloride
CID 3068683
Isoquinoline, 3,4-dihydro-3,3-dimethyl-1-(2-(4-morpholinyl)ethyl)-, dihydrochloride
CID 3079741
N-(2-morpholin-4-ylethyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-imine
CID 44342629
(NZ)-N-(3-morpholin-4-yl-1-naphthalen-2-ylpropylidene)hydroxylamine;hydrochloride
CID 45262592
N-(2-morpholin-4-ylethyl)-1-naphthalen-2-ylmethanimine
CID 24865510
N-ethyl-N-[(7-methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]ethanamine
CID 3068682
7-Methyl-1-phenyl-3-(piperidin-1-ylmethyl)-3,4-dihydroisoquinoline
CID 3068684
4-[(7-Methyl-1-phenyl-3,4-dihydroisoquinolin-3-yl)methyl]morpholine
CID 3068686
7-Methyl-3-[(4-methylpiperazin-1-yl)methyl]-1-phenyl-3,4-dihydroisoquinoline
CID 3068688
4-[2-(3,3-dimethyl-4H-isoquinolin-1-yl)ethyl]morpholine
CID 3079742

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).