1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine

C12H17F2NO — CID 62785969

IUPAC1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
SMILESCCNC(CC)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-11(15-4-2)8-16-12-6-9(13)5-10(14)7-12/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyQLKIAUXGSHUVIY-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.73
Rot. Bonds6

About 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine

1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine (PubChem CID 62785969) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
PubChem CID62785969
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine
SMILESCCNC(CC)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO/c1-3-11(15-4-2)8-16-12-6-9(13)5-10(14)7-12/h5-7,11,15H,3-4,8H2,1-2H3
InChIKeyQLKIAUXGSHUVIY-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

1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-(3,5-difluorophenoxy)-N-methylbutan-2-amine
CID 62786158
N-ethyl-1-(4-fluorophenoxy)butan-2-amine
CID 62038922
1-(3,5-difluorophenoxy)-N-ethyl-3,3-dimethylbutan-2-amine
CID 62785219
1-(3,5-difluorophenoxy)-N-propylpropan-2-amine
CID 62784297
1-(2,2-diethoxyethoxy)-3,5-difluorobenzene
CID 63628941
N-ethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-2-amine
CID 62038734
1-(3,5-difluorophenoxy)propan-2-ol
CID 62784687
4-(3,5-dimethylphenoxy)-3-(ethylamino)butan-1-ol
CID 64897803
methyl 4-(3,5-difluorophenoxy)-2-(ethylamino)butanoate
CID 63033189
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
1-[2-(bromomethyl)pentoxy]-3,5-difluorobenzene
CID 65010768

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine?
The IUPAC name of 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine (CID 62785969) is 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine is CCNC(CC)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine?
The InChIKey is QLKIAUXGSHUVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-3-11(15-4-2)8-16-12-6-9(13)5-10(14)7-12/h5-7,11,15H,3-4,8H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine?
1-(3,5-difluorophenoxy)-N-ethylbutan-2-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 1-(3,5-difluorophenoxy)-N-ethylbutan-2-amine is sourced from PubChem (CID 62785969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).