6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

C17H19NO — CID 142814527

IUPAC6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1C)C(c1ccccc1)NCC2
InChIInChI=1S/C17H19NO/c1-12-10-15-14(11-16(12)19-2)8-9-18-17(15)13-6-4-3-5-7-13/h3-7,10-11,17-18H,8-9H2,1-2H3
InChIKeyMRAUUTOZVOJSRL-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.24
Rot. Bonds2

About 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 142814527) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID142814527
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1C)C(c1ccccc1)NCC2
InChIInChI=1S/C17H19NO/c1-12-10-15-14(11-16(12)19-2)8-9-18-17(15)13-6-4-3-5-7-13/h3-7,10-11,17-18H,8-9H2,1-2H3
InChIKeyMRAUUTOZVOJSRL-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-6-chloro-7-methoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 14198574
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
(1R)-6,7-dimethoxy-1-pyridin-4-yl-1,2,3,4-tetrahydroisoquinoline
CID 745498
1-(4-iodophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3998225
(1S)-6-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 42054854
1-(4-ethylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3248607
6,7-dimethoxy-1-(2-methoxy-5-phenylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3933411
6-methoxy-7-phenylmethoxy-1-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3487799
(1R)-1-(furan-3-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 96980269
(1R)-6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672624
4-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-hydroxybenzeneamine oxide
CID 163132687
(1S)-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 42054648

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 142814527) is 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1C)C(c1ccccc1)NCC2.
What is the InChIKey of 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MRAUUTOZVOJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12-10-15-14(11-16(12)19-2)8-9-18-17(15)13-6-4-3-5-7-13/h3-7,10-11,17-18H,8-9H2,1-2H3.
What are the key properties of 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 253.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 142814527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).