1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline

C25H26ClNO2 — CID 2857393

IUPAC1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccc(Cl)c1)N(Cc1ccccc1C)CC2
InChIInChI=1S/C25H26ClNO2/c1-17-7-4-5-8-20(17)16-27-12-11-18-14-23(28-2)24(29-3)15-22(18)25(27)19-9-6-10-21(26)13-19/h4-10,13-15,25H,11-12,16H2,1-3H3
InChIKeyRZKZAQFHMZHYEC-UHFFFAOYSA-N
MW407.94 g/mol
LogP5.81
Rot. Bonds5

About 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline

1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 2857393) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID2857393
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC Name1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccc(Cl)c1)N(Cc1ccccc1C)CC2
InChIInChI=1S/C25H26ClNO2/c1-17-7-4-5-8-20(17)16-27-12-11-18-14-23(28-2)24(29-3)15-22(18)25(27)19-9-6-10-21(26)13-19/h4-10,13-15,25H,11-12,16H2,1-3H3
InChIKeyRZKZAQFHMZHYEC-UHFFFAOYSA-N
XLogP5.81
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-chlorophenyl)-6,7-dimethoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 27271638
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 174547872
(1S)-1-(3-chlorophenyl)-2-(9H-fluoren-2-ylmethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 2261190
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 25389894
(1R)-1-(3-chlorophenyl)-2-(2,3-dihydro-1H-inden-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1353848
(1R)-1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium
CID 7454112
5-chloro-4-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole
CID 31429466
5-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2-oxazole
CID 31392658
[1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 46095381
N-[1-[6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]acetamide
CID 46144415
1-(2-fluorophenyl)-6,7-dimethoxy-2-[(3-methyl-4-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 16676264
[(1S)-1-(3-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 92773371

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 2857393) is 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)C(c1cccc(Cl)c1)N(Cc1ccccc1C)CC2.
What is the InChIKey of 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is RZKZAQFHMZHYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO2/c1-17-7-4-5-8-20(17)16-27-12-11-18-14-23(28-2)24(29-3)15-22(18)25(27)19-9-6-10-21(26)13-19/h4-10,13-15,25H,11-12,16H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 407.94 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 2857393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).