6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline

C31H31NO2 — CID 11123214

IUPAC6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccc(C)cc1)C2(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H31NO2/c1-23-9-13-27(14-10-23)32-20-19-25-21-29(33-3)17-18-30(25)31(32,2)26-11-15-28(16-12-26)34-22-24-7-5-4-6-8-24/h4-18,21H,19-20,22H2,1-3H3
InChIKeyQBAVLOAHZDGGJJ-UHFFFAOYSA-N
MW449.59 g/mol
LogP6.91
Rot. Bonds6

About 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline

6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline (PubChem CID 11123214) has the molecular formula C31H31NO2 and a molecular weight of 449.59 g/mol. Its IUPAC name is 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline
PubChem CID11123214
Molecular FormulaC31H31NO2
Molecular Weight449.59 g/mol
Exact Mass449.24
IUPAC Name6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccc(C)cc1)C2(C)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C31H31NO2/c1-23-9-13-27(14-10-23)32-20-19-25-21-29(33-3)17-18-30(25)31(32,2)26-11-15-28(16-12-26)34-22-24-7-5-4-6-8-24/h4-18,21H,19-20,22H2,1-3H3
InChIKeyQBAVLOAHZDGGJJ-UHFFFAOYSA-N
XLogP6.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.59
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)phenol
CID 10982720
4-[2-(4-chlorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenol
CID 11731661
3-[4-[2-(4-fluorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]-N-iminopropanamide
CID 123962828
2-(4-fluorophenyl)-6-methoxy-1-methyl-1-[4-[(E)-2-(2H-tetrazol-5-yl)ethenyl]phenyl]-3,4-dihydroisoquinoline
CID 118166593
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
(E)-3-[4-[2-(4-fluorophenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enehydrazide
CID 118166577
methyl (E)-3-[4-[2-(4-cyclopropylphenyl)-6-methoxy-1-methyl-3,4-dihydroisoquinolin-1-yl]phenyl]prop-2-enoate
CID 118184767
2-(4-fluorophenyl)-6-methoxy-1-methyl-1-[4-[(E)-2-(2-methyltetrazol-5-yl)ethenyl]phenyl]-3,4-dihydroisoquinoline
CID 118166847
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
1-methyl-2-(3-propan-2-ylphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-6-ol
CID 10906792

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline (CID 11123214) is 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline is COc1ccc2c(c1)CCN(c1ccc(C)cc1)C2(C)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline?
The InChIKey is QBAVLOAHZDGGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO2/c1-23-9-13-27(14-10-23)32-20-19-25-21-29(33-3)17-18-30(25)31(32,2)26-11-15-28(16-12-26)34-22-24-7-5-4-6-8-24/h4-18,21H,19-20,22H2,1-3H3.
What are the key properties of 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline?
6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline has a molecular weight of 449.59 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-methyl-2-(4-methylphenyl)-1-(4-phenylmethoxyphenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 11123214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).