1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline

C18H19NO — CID 118966802

IUPAC1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCC1=NCCc2c1ccc(OCc1ccccc1)c2C
InChIInChI=1S/C18H19NO/c1-13-16-10-11-19-14(2)17(16)8-9-18(13)20-12-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3
InChIKeyGIOGDOSFQKDMKU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.94
Rot. Bonds3

About 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline

1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline (PubChem CID 118966802) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline
PubChem CID118966802
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline
SMILESCC1=NCCc2c1ccc(OCc1ccccc1)c2C
InChIInChI=1S/C18H19NO/c1-13-16-10-11-19-14(2)17(16)8-9-18(13)20-12-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3
InChIKeyGIOGDOSFQKDMKU-UHFFFAOYSA-N
XLogP3.94
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-5-methoxy-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 122650537
6-ethoxy-1-methyl-7-phenylmethoxy-3,4-dihydroisoquinoline;hydrochloride
CID 54599714
4-methyl-1-[4-(5-methyl-2-phenyl-6-phenylmethoxy-3,4-dihydronaphthalen-1-yl)phenyl]piperidine
CID 134579937
2-(aziridin-2-yl)-3-methyl-4-phenylmethoxypyridine
CID 163646322
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676
7-methyl-4-phenylmethoxy-2,3-dihydroinden-1-one
CID 171619861
3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
(6-methyl-3-phenylmethoxy-2-pyridinyl)methanamine
CID 58869463
(3-methyl-4-phenylmethoxy-2-pyridinyl)hydrazine
CID 70451114
7-methoxy-1-phenyl-6-phenylmethoxy-3,4-dihydroisoquinoline
CID 11110673
5-methoxy-6-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 23385218
tert-butyl 5-methyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate;ethane;propane
CID 145043081

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline (CID 118966802) is 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline is CC1=NCCc2c1ccc(OCc1ccccc1)c2C.
What is the InChIKey of 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
The InChIKey is GIOGDOSFQKDMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c1-13-16-10-11-19-14(2)17(16)8-9-18(13)20-12-15-6-4-3-5-7-15/h3-9H,10-12H2,1-2H3.
What are the key properties of 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline?
1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline has a molecular weight of 265.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6-phenylmethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 118966802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).