N-(2-fluorophenoxy)ethanamine

C8H10FNO — CID 22450577

IUPACN-(2-fluorophenoxy)ethanamine
SMILESCCNOc1ccccc1F
InChIInChI=1S/C8H10FNO/c1-2-10-11-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyNHCFCSUHYCJBMB-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.73
Rot. Bonds3

About N-(2-fluorophenoxy)ethanamine

N-(2-fluorophenoxy)ethanamine (PubChem CID 22450577) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is N-(2-fluorophenoxy)ethanamine.

Molecular Properties

Compound NameN-(2-fluorophenoxy)ethanamine
PubChem CID22450577
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC NameN-(2-fluorophenoxy)ethanamine
SMILESCCNOc1ccccc1F
InChIInChI=1S/C8H10FNO/c1-2-10-11-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3
InChIKeyNHCFCSUHYCJBMB-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenoxy)ethanamine?
The IUPAC name of N-(2-fluorophenoxy)ethanamine (CID 22450577) is N-(2-fluorophenoxy)ethanamine.
What is the SMILES notation for N-(2-fluorophenoxy)ethanamine?
The canonical SMILES for N-(2-fluorophenoxy)ethanamine is CCNOc1ccccc1F.
What is the InChIKey of N-(2-fluorophenoxy)ethanamine?
The InChIKey is NHCFCSUHYCJBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-2-10-11-8-6-4-3-5-7(8)9/h3-6,10H,2H2,1H3.
What are the key properties of N-(2-fluorophenoxy)ethanamine?
N-(2-fluorophenoxy)ethanamine has a molecular weight of 155.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenoxy)ethanamine is sourced from PubChem (CID 22450577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).