1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline

C22H20FNO — CID 3024732

IUPAC1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1F
InChIInChI=1S/C22H20FNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3
InChIKeyCLDQEJBTSNAYIU-UHFFFAOYSA-N
MW333.41 g/mol
LogP4.99
Rot. Bonds3

About 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline

1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline (PubChem CID 3024732) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
PubChem CID3024732
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1F
InChIInChI=1S/C22H20FNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3
InChIKeyCLDQEJBTSNAYIU-UHFFFAOYSA-N
XLogP4.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline (CID 3024732) is 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(c1ccccc1)C2c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is CLDQEJBTSNAYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-25-18-11-12-19-16(15-18)13-14-24(17-7-3-2-4-8-17)22(19)20-9-5-6-10-21(20)23/h2-12,15,22H,13-14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline?
1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 333.41 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 3024732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).