6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline

C19H23NO2 — CID 112513040

IUPAC6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
SMILESCOc1cccc(C2NCC(C)(C)c3cc(OC)ccc32)c1
InChIInChI=1S/C19H23NO2/c1-19(2)12-20-18(13-6-5-7-14(10-13)21-3)16-9-8-15(22-4)11-17(16)19/h5-11,18,20H,12H2,1-4H3
InChIKeyMGJHTBHUSJOSDG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.67
Rot. Bonds3

About 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline

6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline (PubChem CID 112513040) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
PubChem CID112513040
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline
SMILESCOc1cccc(C2NCC(C)(C)c3cc(OC)ccc32)c1
InChIInChI=1S/C19H23NO2/c1-19(2)12-20-18(13-6-5-7-14(10-13)21-3)16-9-8-15(22-4)11-17(16)19/h5-11,18,20H,12H2,1-4H3
InChIKeyMGJHTBHUSJOSDG-UHFFFAOYSA-N
XLogP3.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 82304474
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
6-fluoro-1-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole
CID 84737148
6-methoxy-1-pyridin-4-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513028
5-fluoro-2-(3-methoxyphenyl)-5-methylpiperidine
CID 84725237
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
6-methoxy-1-thiophen-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopentane]
CID 112513047
3-(3-methoxyphenyl)-2,2-dimethylpyrrolidine;hydrochloride
CID 170914264
1-(2-fluorophenyl)-6-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112513013
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline?
The IUPAC name of 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline (CID 112513040) is 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline.
What is the SMILES notation for 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline?
The canonical SMILES for 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline is COc1cccc(C2NCC(C)(C)c3cc(OC)ccc32)c1.
What is the InChIKey of 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline?
The InChIKey is MGJHTBHUSJOSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-19(2)12-20-18(13-6-5-7-14(10-13)21-3)16-9-8-15(22-4)11-17(16)19/h5-11,18,20H,12H2,1-4H3.
What are the key properties of 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline?
6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline has a molecular weight of 297.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(3-methoxyphenyl)-4,4-dimethyl-2,3-dihydro-1H-isoquinoline is sourced from PubChem (CID 112513040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).