2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine

C12H17F2NO — CID 62485732

IUPAC2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-9(8-15-4-2)16-10-5-6-11(13)12(14)7-10/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyNUBIDXSZFDRHCZ-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.73
Rot. Bonds6

About 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine

2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine (PubChem CID 62485732) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
PubChem CID62485732
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
SMILESCCNCC(CC)Oc1ccc(F)c(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-9(8-15-4-2)16-10-5-6-11(13)12(14)7-10/h5-7,9,15H,3-4,8H2,1-2H3
InChIKeyNUBIDXSZFDRHCZ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
N-ethyl-2-(3-methylphenoxy)butan-1-amine
CID 54798641
2-(4-bromo-3-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 103228797
3-(3,4-difluorophenoxy)-N-ethyl-2-methylpropan-1-amine
CID 62486090
2-(3,5-dimethoxyphenoxy)-N-ethylbutan-1-amine
CID 62449737
2-(3,5-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62454791
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
CID 82727583
N-ethyl-2-(4-methylsulfonylphenoxy)butan-1-amine
CID 62485042
N-tert-butyl-2-(3-fluoro-4-methylphenoxy)butan-1-amine
CID 107170874

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine?
The IUPAC name of 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine (CID 62485732) is 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine is CCNCC(CC)Oc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine?
The InChIKey is NUBIDXSZFDRHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-9(8-15-4-2)16-10-5-6-11(13)12(14)7-10/h5-7,9,15H,3-4,8H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine?
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine is sourced from PubChem (CID 62485732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).