2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline

C18H20FNO — CID 11808247

IUPAC2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(OCCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H20FNO/c19-17-6-8-18(9-7-17)21-13-3-11-20-12-10-15-4-1-2-5-16(15)14-20/h1-2,4-9H,3,10-14H2
InChIKeyUQNXMCNVFPEPNB-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.65
Rot. Bonds5

About 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline

2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 11808247) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline
PubChem CID11808247
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline
SMILESFc1ccc(OCCCN2CCc3ccccc3C2)cc1
InChIInChI=1S/C18H20FNO/c19-17-6-8-18(9-7-17)21-13-3-11-20-12-10-15-4-1-2-5-16(15)14-20/h1-2,4-9H,3,10-14H2
InChIKeyUQNXMCNVFPEPNB-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline (CID 11808247) is 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline is Fc1ccc(OCCCN2CCc3ccccc3C2)cc1.
What is the InChIKey of 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is UQNXMCNVFPEPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c19-17-6-8-18(9-7-17)21-13-3-11-20-12-10-15-4-1-2-5-16(15)14-20/h1-2,4-9H,3,10-14H2.
What are the key properties of 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline?
2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 285.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenoxy)propyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11808247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).