(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline

C19H23NO2 — CID 101228516

IUPAC(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC[C@@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccccc2)N1
InChIInChI=1S/C19H23NO2/c1-4-15-10-14-11-17(21-2)18(22-3)12-16(14)19(20-15)13-8-6-5-7-9-13/h5-9,11-12,15,19-20H,4,10H2,1-3H3/t15-,19-/m1/s1
InChIKeyNAPSRIAILNMTDQ-DNVCBOLYSA-N
MW297.40 g/mol
LogP3.72
Rot. Bonds4

About (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline

(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 101228516) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID101228516
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCC[C@@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccccc2)N1
InChIInChI=1S/C19H23NO2/c1-4-15-10-14-11-17(21-2)18(22-3)12-16(14)19(20-15)13-8-6-5-7-9-13/h5-9,11-12,15,19-20H,4,10H2,1-3H3/t15-,19-/m1/s1
InChIKeyNAPSRIAILNMTDQ-DNVCBOLYSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 123462493
(1R,3R)-3-ethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 101228506
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
[(1R,3S)-3-ethyl-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl] acetate
CID 122234873
2-[(1R,3S)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]-4-phenyl-1,3-thiazole
CID 57498442
N-benzyl-6,7-dimethoxy-1-phenyl-2,4-dihydro-1H-isoquinolin-3-imine
CID 135704112
(1R,3S)-6,7-dimethoxy-3-methyl-1-phenyl-3,4-dihydro-1H-isochromene
CID 129405533
(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10446565
(2R,6S)-2-ethyl-5-methoxy-6-phenyl-1,2,3,6-tetrahydropyridine
CID 102016733
1-(4-ethylphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3248607
3-(2-methylpropyl)-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 123461490
(1S,3S)-1-(4-fluorophenyl)-6,7-dimethoxy-3-(3-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 92562399

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 101228516) is (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline is CC[C@@H]1Cc2cc(OC)c(OC)cc2[C@@H](c2ccccc2)N1.
What is the InChIKey of (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NAPSRIAILNMTDQ-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-4-15-10-14-11-17(21-2)18(22-3)12-16(14)19(20-15)13-8-6-5-7-9-13/h5-9,11-12,15,19-20H,4,10H2,1-3H3/t15-,19-/m1/s1.
What are the key properties of (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
(1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 297.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3-ethyl-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 101228516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).