1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine

C15H17F2NO2 — CID 63269237

IUPAC1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1F)c1ccc(C)o1
InChIInChI=1S/C15H17F2NO2/c1-3-12(18)15(13-7-4-9(2)19-13)20-14-8-10(16)5-6-11(14)17/h4-8,12,15H,3,18H2,1-2H3
InChIKeyUDBWDEXTNNWVJY-UHFFFAOYSA-N
MW281.30 g/mol
LogP3.72
Rot. Bonds5

About 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine

1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine (PubChem CID 63269237) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
PubChem CID63269237
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
SMILESCCC(N)C(Oc1cc(F)ccc1F)c1ccc(C)o1
InChIInChI=1S/C15H17F2NO2/c1-3-12(18)15(13-7-4-9(2)19-13)20-14-8-10(16)5-6-11(14)17/h4-8,12,15H,3,18H2,1-2H3
InChIKeyUDBWDEXTNNWVJY-UHFFFAOYSA-N
XLogP3.72
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-fluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 83233186
2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine
CID 55168512
1-(4-bromothiophen-2-yl)-1-(2,5-difluorophenoxy)butan-2-amine
CID 63268698
1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
CID 141001836
1-(2-fluoro-5-methylphenoxy)-1-(4-methylphenyl)butan-2-amine
CID 64855572
1-(5-fluoro-2-methylphenoxy)-1-pyridin-4-ylbutan-2-amine
CID 102980496
1-(4-chloro-3-ethylphenoxy)-1-(5-methylfuran-2-yl)butan-2-amine
CID 63460664
1-(2-fluoro-5-methylphenoxy)-1-(2-fluorophenyl)butan-2-amine
CID 64853420
1-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)butan-2-amine
CID 64854999
1-(5-methylfuran-2-yl)-1-pentan-2-yloxybutan-2-amine
CID 102980652
1-(5-fluoro-2-methylphenoxy)-1-(3-methylphenyl)butan-2-amine
CID 102980547
1-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)butan-2-amine
CID 114671911

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The IUPAC name of 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine (CID 63269237) is 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine is CCC(N)C(Oc1cc(F)ccc1F)c1ccc(C)o1.
What is the InChIKey of 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
The InChIKey is UDBWDEXTNNWVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c1-3-12(18)15(13-7-4-9(2)19-13)20-14-8-10(16)5-6-11(14)17/h4-8,12,15H,3,18H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine?
1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine has a molecular weight of 281.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenoxy)-1-(5-methylfuran-2-yl)butan-2-amine is sourced from PubChem (CID 63269237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).