(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline

C24H25NO2 — CID 25389894

IUPAC(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccccc1)CC2
InChIInChI=1S/C24H25NO2/c1-26-22-15-20-13-14-25(17-18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)21(20)16-23(22)27-2/h3-12,15-16,24H,13-14,17H2,1-2H3/t24-/m0/s1
InChIKeyDTMDQGQIAKLKNM-DEOSSOPVSA-N
MW359.47 g/mol
LogP4.85
Rot. Bonds5

About (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline

(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 25389894) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID25389894
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccccc1)CC2
InChIInChI=1S/C24H25NO2/c1-26-22-15-20-13-14-25(17-18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)21(20)16-23(22)27-2/h3-12,15-16,24H,13-14,17H2,1-2H3/t24-/m0/s1
InChIKeyDTMDQGQIAKLKNM-DEOSSOPVSA-N
XLogP4.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1,2-oxazole
CID 31392658
2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid
CID 51434142
5-chloro-4-[[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]thiadiazole
CID 31429466
2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 24756739
2-[4-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]sulfonyl-1-(furan-2-yl)ethanone
CID 160762296
N-[4-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]sulfonylfuran-2-carboxamide
CID 53299879
(1R)-2-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-1-phenylethanol
CID 40758909
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 174547872
N-[4-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]sulfonyl-2,2-diphenylacetamide
CID 56656435
(1S)-1-(3-chlorophenyl)-6,7-dimethoxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 27271638
8-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)octanoic acid
CID 22662976
(1S)-2-hept-6-ynyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 11428474

Frequently Asked Questions

What is the IUPAC name of (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline (CID 25389894) is (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1ccccc1)CC2.
What is the InChIKey of (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is DTMDQGQIAKLKNM-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H25NO2/c1-26-22-15-20-13-14-25(17-18-9-5-3-6-10-18)24(19-11-7-4-8-12-19)21(20)16-23(22)27-2/h3-12,15-16,24H,13-14,17H2,1-2H3/t24-/m0/s1.
What are the key properties of (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline?
(1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 359.47 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-benzyl-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 25389894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).