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

C19H23NO2 — CID 672733

IUPAC(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)NCC2
InChIInChI=1S/C19H23NO2/c1-3-21-17-12-15-10-11-20-19(14-8-6-5-7-9-14)16(15)13-18(17)22-4-2/h5-9,12-13,19-20H,3-4,10-11H2,1-2H3/t19-/m1/s1
InChIKeyDRUZNOUZPRHPOS-LJQANCHMSA-N
MW297.40 g/mol
LogP3.72
Rot. Bonds5

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

(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 672733) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID672733
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)NCC2
InChIInChI=1S/C19H23NO2/c1-3-21-17-12-15-10-11-20-19(14-8-6-5-7-9-14)16(15)13-18(17)22-4-2/h5-9,12-13,19-20H,3-4,10-11H2,1-2H3/t19-/m1/s1
InChIKeyDRUZNOUZPRHPOS-LJQANCHMSA-N
XLogP3.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
2-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 674048
6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485238
(1S)-1-(3,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 672749
1-(4-bromophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5105093
(1R)-6-ethoxy-1-(3-iodophenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 1044558
1-(3-butoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4008322
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
1-(4-chlorophenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485258
4-[(1S)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]-N,N-dimethylaniline
CID 728889

Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline (CID 672733) is (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline is CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)NCC2.
What is the InChIKey of (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is DRUZNOUZPRHPOS-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-21-17-12-15-10-11-20-19(14-8-6-5-7-9-14)16(15)13-18(17)22-4-2/h5-9,12-13,19-20H,3-4,10-11H2,1-2H3/t19-/m1/s1.
What are the key properties of (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline?
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 297.40 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 672733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).