1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline

C16H14FNO — CID 15956590

IUPAC1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline
SMILESFc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H14FNO/c17-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-18-16/h1-8H,9-11H2
InChIKeyXUMWBPBVHHGEFI-UHFFFAOYSA-N
MW255.29 g/mol
LogP3.25
Rot. Bonds3

About 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline

1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline (PubChem CID 15956590) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline
PubChem CID15956590
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline
SMILESFc1ccc(OCC2=NCCc3ccccc32)cc1
InChIInChI=1S/C16H14FNO/c17-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-18-16/h1-8H,9-11H2
InChIKeyXUMWBPBVHHGEFI-UHFFFAOYSA-N
XLogP3.25
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
The IUPAC name of 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline (CID 15956590) is 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline is Fc1ccc(OCC2=NCCc3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
The InChIKey is XUMWBPBVHHGEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c17-13-5-7-14(8-6-13)19-11-16-15-4-2-1-3-12(15)9-10-18-16/h1-8H,9-11H2.
What are the key properties of 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline?
1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline has a molecular weight of 255.29 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenoxy)methyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 15956590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).