2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine

C13H19F2NO — CID 63273363

IUPAC2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Oc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-4-13(3,9-16-5-2)17-12-8-10(14)6-7-11(12)15/h6-8,16H,4-5,9H2,1-3H3
InChIKeyAJIZDGRJCSYYJZ-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.12
Rot. Bonds6

About 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine

2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine (PubChem CID 63273363) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine
PubChem CID63273363
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine
SMILESCCNCC(C)(CC)Oc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-4-13(3,9-16-5-2)17-12-8-10(14)6-7-11(12)15/h6-8,16H,4-5,9H2,1-3H3
InChIKeyAJIZDGRJCSYYJZ-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine (CID 63273363) is 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine is CCNCC(C)(CC)Oc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine?
The InChIKey is AJIZDGRJCSYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-4-13(3,9-16-5-2)17-12-8-10(14)6-7-11(12)15/h6-8,16H,4-5,9H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine?
2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine has a molecular weight of 243.30 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 63273363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).