3-(4-fluorophenoxy)propan-1-amine

C9H12FNO — CID 14025825

IUPAC3-(4-fluorophenoxy)propan-1-amine
SMILESNCCCOc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2
InChIKeyZIBPUVKKZJRDHB-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.55
Rot. Bonds4

About 3-(4-fluorophenoxy)propan-1-amine

3-(4-fluorophenoxy)propan-1-amine (PubChem CID 14025825) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propan-1-amine
PubChem CID14025825
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name3-(4-fluorophenoxy)propan-1-amine
SMILESNCCCOc1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2
InChIKeyZIBPUVKKZJRDHB-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
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 3-(4-fluorophenoxy)propan-1-amine?
The IUPAC name of 3-(4-fluorophenoxy)propan-1-amine (CID 14025825) is 3-(4-fluorophenoxy)propan-1-amine.
What is the SMILES notation for 3-(4-fluorophenoxy)propan-1-amine?
The canonical SMILES for 3-(4-fluorophenoxy)propan-1-amine is NCCCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)propan-1-amine?
The InChIKey is ZIBPUVKKZJRDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,6-7,11H2.
What are the key properties of 3-(4-fluorophenoxy)propan-1-amine?
3-(4-fluorophenoxy)propan-1-amine has a molecular weight of 169.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propan-1-amine is sourced from PubChem (CID 14025825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).