1-(4-fluorophenoxy)ethanamine

C8H10FNO — CID 68874100

IUPAC1-(4-fluorophenoxy)ethanamine
SMILESCC(N)Oc1ccc(F)cc1
InChIInChI=1S/C8H10FNO/c1-6(10)11-8-4-2-7(9)3-5-8/h2-6H,10H2,1H3
InChIKeyJGNPYSGYUNIIPD-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.51
Rot. Bonds2

About 1-(4-fluorophenoxy)ethanamine

1-(4-fluorophenoxy)ethanamine (PubChem CID 68874100) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)ethanamine.

Molecular Properties

Compound Name1-(4-fluorophenoxy)ethanamine
PubChem CID68874100
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name1-(4-fluorophenoxy)ethanamine
SMILESCC(N)Oc1ccc(F)cc1
InChIInChI=1S/C8H10FNO/c1-6(10)11-8-4-2-7(9)3-5-8/h2-6H,10H2,1H3
InChIKeyJGNPYSGYUNIIPD-UHFFFAOYSA-N
XLogP1.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.51
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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Related Compounds

4-[4-(1-aminoethoxy)phenyl]phenol
CID 163497782
1-(4-fluorophenyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 62797468
2-(4-fluorophenoxy)propanoic acid
CID 3872140
2-(4-fluorophenoxy)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 16788405
1-(4-fluorophenyl)-2-phenoxypropan-1-amine
CID 16782575
(2R)-1-(4-fluorophenoxy)-3-methylbutan-2-amine
CID 96818001
N-ethyl-2-(4-fluorophenoxy)propan-1-amine
CID 62454128
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
CID 55022666
1-(4-fluorophenyl)-2-(4-propylphenoxy)propan-1-amine
CID 107523583
ethyl (3S,4R)-4-(4-fluorophenoxy)-3-methylpentanoate
CID 146594312
2-fluoro-1-(4-fluorophenoxy)ethanol
CID 174637164
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)ethanamine?
The IUPAC name of 1-(4-fluorophenoxy)ethanamine (CID 68874100) is 1-(4-fluorophenoxy)ethanamine.
What is the SMILES notation for 1-(4-fluorophenoxy)ethanamine?
The canonical SMILES for 1-(4-fluorophenoxy)ethanamine is CC(N)Oc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)ethanamine?
The InChIKey is JGNPYSGYUNIIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-6(10)11-8-4-2-7(9)3-5-8/h2-6H,10H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)ethanamine?
1-(4-fluorophenoxy)ethanamine has a molecular weight of 155.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)ethanamine is sourced from PubChem (CID 68874100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).