2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline

C24H23F2NO2 — CID 91109625

IUPAC2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C24H23F2NO2/c1-28-23-12-20-15-27(14-18-9-21(25)13-22(26)10-18)8-7-19(20)11-24(23)29-16-17-5-3-2-4-6-17/h2-6,9-13H,7-8,14-16H2,1H3
InChIKeySEQVIGPXGADQOG-UHFFFAOYSA-N
MW395.45 g/mol
LogP5.11
Rot. Bonds6

About 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline

2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 91109625) has the molecular formula C24H23F2NO2 and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID91109625
Molecular FormulaC24H23F2NO2
Molecular Weight395.45 g/mol
Exact Mass395.17
IUPAC Name2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OCc1ccccc1)CCN(Cc1cc(F)cc(F)c1)C2
InChIInChI=1S/C24H23F2NO2/c1-28-23-12-20-15-27(14-18-9-21(25)13-22(26)10-18)8-7-19(20)11-24(23)29-16-17-5-3-2-4-6-17/h2-6,9-13H,7-8,14-16H2,1H3
InChIKeySEQVIGPXGADQOG-UHFFFAOYSA-N
XLogP5.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.45
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
6,7-dimethoxy-2-[[3-(4-phenoxyphenoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 11213509
N-benzyl-4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 90704573
6,7-dimethoxy-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 3772747
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]aniline
CID 10334860
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-iodo-6-methoxyphenol
CID 1376220
2-[[3-(4-ethoxyphenoxy)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 11293038
6,7-dimethoxy-2-[(2-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1377084
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzonitrile
CID 4901222

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline (CID 91109625) is 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OCc1ccccc1)CCN(Cc1cc(F)cc(F)c1)C2.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is SEQVIGPXGADQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2NO2/c1-28-23-12-20-15-27(14-18-9-21(25)13-22(26)10-18)8-7-19(20)11-24(23)29-16-17-5-3-2-4-6-17/h2-6,9-13H,7-8,14-16H2,1H3.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline?
2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 395.45 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 91109625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).