9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

C16H23FN2O2 — CID 18918124

IUPAC9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESNC1CC2COCC(C1)N2CCCOc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c17-12-2-4-16(5-3-12)21-7-1-6-19-14-8-13(18)9-15(19)11-20-10-14/h2-5,13-15H,1,6-11,18H2
InChIKeyKUZLCMHINPHYGV-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.79
Rot. Bonds5

About 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine

9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (PubChem CID 18918124) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.

Molecular Properties

Compound Name9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
PubChem CID18918124
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
SMILESNC1CC2COCC(C1)N2CCCOc1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c17-12-2-4-16(5-3-12)21-7-1-6-19-14-8-13(18)9-15(19)11-20-10-14/h2-5,13-15H,1,6-11,18H2
InChIKeyKUZLCMHINPHYGV-UHFFFAOYSA-N
XLogP1.79
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The IUPAC name of 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine (CID 18918124) is 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine.
What is the SMILES notation for 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The canonical SMILES for 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is NC1CC2COCC(C1)N2CCCOc1ccc(F)cc1.
What is the InChIKey of 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
The InChIKey is KUZLCMHINPHYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-12-2-4-16(5-3-12)21-7-1-6-19-14-8-13(18)9-15(19)11-20-10-14/h2-5,13-15H,1,6-11,18H2.
What are the key properties of 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine?
9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine has a molecular weight of 294.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-fluorophenoxy)propyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine is sourced from PubChem (CID 18918124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).