1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

C24H25NO2 — CID 3521561

IUPAC1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C)cc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H25NO2/c1-17-8-11-23(26-2)22(14-17)24-21-10-9-20(15-19(21)12-13-25-24)27-16-18-6-4-3-5-7-18/h3-11,14-15,24-25H,12-13,16H2,1-2H3
InChIKeyNBFRQKHJVQFISX-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.82
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline

1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 3521561) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID3521561
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C)cc1C1NCCc2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C24H25NO2/c1-17-8-11-23(26-2)22(14-17)24-21-10-9-20(15-19(21)12-13-25-24)27-16-18-6-4-3-5-7-18/h3-11,14-15,24-25H,12-13,16H2,1-2H3
InChIKeyNBFRQKHJVQFISX-UHFFFAOYSA-N
XLogP4.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-(2-methoxy-5-phenylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3473176
1-(4,5-dimethoxy-2-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5015514
1-(3-chloro-2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3964670
1-(4-methoxy-3,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3931164
N,N-diethyl-2-[[1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]ethanamine
CID 3382143
1-(2,5-dimethylphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 5035966
1-(2-bromophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3596969
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916
1-(2,6-dichlorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4260900
6-methoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3623232
2-[[1-(3-methoxy-4-phenylmethoxyphenyl)-1,2,3,4-tetrahydroisoquinolin-6-yl]oxy]-N,N-dimethylethanamine
CID 5021731
7-methoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 106543720

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline (CID 3521561) is 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc(C)cc1C1NCCc2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NBFRQKHJVQFISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2/c1-17-8-11-23(26-2)22(14-17)24-21-10-9-20(15-19(21)12-13-25-24)27-16-18-6-4-3-5-7-18/h3-11,14-15,24-25H,12-13,16H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline?
1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 359.47 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 3521561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).