1-[2-(4-fluorophenyl)ethoxy]ethanamine

C10H14FNO — CID 23218516

IUPAC1-[2-(4-fluorophenyl)ethoxy]ethanamine
SMILESCC(N)OCCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-8(12)13-7-6-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3
InChIKeyWSNYZGMZLALGQL-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.69
Rot. Bonds4

About 1-[2-(4-fluorophenyl)ethoxy]ethanamine

1-[2-(4-fluorophenyl)ethoxy]ethanamine (PubChem CID 23218516) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethoxy]ethanamine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethoxy]ethanamine
PubChem CID23218516
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-[2-(4-fluorophenyl)ethoxy]ethanamine
SMILESCC(N)OCCc1ccc(F)cc1
InChIInChI=1S/C10H14FNO/c1-8(12)13-7-6-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3
InChIKeyWSNYZGMZLALGQL-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethoxy]ethanamine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethoxy]ethanamine (CID 23218516) is 1-[2-(4-fluorophenyl)ethoxy]ethanamine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethoxy]ethanamine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethoxy]ethanamine is CC(N)OCCc1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethoxy]ethanamine?
The InChIKey is WSNYZGMZLALGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8(12)13-7-6-9-2-4-10(11)5-3-9/h2-5,8H,6-7,12H2,1H3.
What are the key properties of 1-[2-(4-fluorophenyl)ethoxy]ethanamine?
1-[2-(4-fluorophenyl)ethoxy]ethanamine has a molecular weight of 183.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethoxy]ethanamine is sourced from PubChem (CID 23218516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).