2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine

C13H13F2NO2 — CID 62573014

IUPAC2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESFc1ccc(OCCNCc2ccco2)c(F)c1
InChIInChI=1S/C13H13F2NO2/c14-10-3-4-13(12(15)8-10)18-7-5-16-9-11-2-1-6-17-11/h1-4,6,8,16H,5,7,9H2
InChIKeyKITKETJGFZDOOV-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.73
Rot. Bonds6

About 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine

2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine (PubChem CID 62573014) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
PubChem CID62573014
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine
SMILESFc1ccc(OCCNCc2ccco2)c(F)c1
InChIInChI=1S/C13H13F2NO2/c14-10-3-4-13(12(15)8-10)18-7-5-16-9-11-2-1-6-17-11/h1-4,6,8,16H,5,7,9H2
InChIKeyKITKETJGFZDOOV-UHFFFAOYSA-N
XLogP2.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-5-methylphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 64853522
2-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)ethanamine
CID 55092341
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)ethanamine
CID 104708522
1-[2-(2,4-difluorophenoxy)ethyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine
CID 111787095
N-(furan-2-ylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 62572364
N-(furan-2-ylmethyl)-2-(4-methoxyphenoxy)ethanamine
CID 2299658
2-[2-fluoro-4-[3-fluoro-4-[2-[(3-fluorophenyl)methylamino]ethoxy]phenyl]phenoxy]-N-[(3-fluorophenyl)methyl]ethanamine
CID 67810816
2-(2,4-difluorophenoxy)-N-methylethanamine;hydrochloride
CID 86262296
N-(furan-2-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]ethanamine
CID 6457238
N-(furan-2-ylmethyl)-2-quinolin-5-yloxyethanamine
CID 103045894
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine (CID 62573014) is 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine is Fc1ccc(OCCNCc2ccco2)c(F)c1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine?
The InChIKey is KITKETJGFZDOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c14-10-3-4-13(12(15)8-10)18-7-5-16-9-11-2-1-6-17-11/h1-4,6,8,16H,5,7,9H2.
What are the key properties of 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine?
2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine has a molecular weight of 253.25 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(furan-2-ylmethyl)ethanamine is sourced from PubChem (CID 62573014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).