2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline

C18H20FNO — CID 69179698

IUPAC2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(Cc1ccccc1F)C2C
InChIInChI=1S/C18H20FNO/c1-13-17-8-7-16(21-2)11-14(17)9-10-20(13)12-15-5-3-4-6-18(15)19/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyHGYXVDAKVLBFKW-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.95
Rot. Bonds3

About 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline

2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 69179698) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID69179698
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1)CCN(Cc1ccccc1F)C2C
InChIInChI=1S/C18H20FNO/c1-13-17-8-7-16(21-2)11-14(17)9-10-20(13)12-15-5-3-4-6-18(15)19/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyHGYXVDAKVLBFKW-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline (CID 69179698) is 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1)CCN(Cc1ccccc1F)C2C.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HGYXVDAKVLBFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-13-17-8-7-16(21-2)11-14(17)9-10-20(13)12-15-5-3-4-6-18(15)19/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline?
2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 285.36 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-6-methoxy-1-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 69179698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).