1-(2,5-difluorophenoxy)-N-propylbutan-2-amine

C13H19F2NO — CID 63268869

IUPAC1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-3-7-16-11(4-2)9-17-13-8-10(14)5-6-12(13)15/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyWENHEQXWXWTGBU-UHFFFAOYSA-N
MW243.30 g/mol
LogP3.12
Rot. Bonds7

About 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine

1-(2,5-difluorophenoxy)-N-propylbutan-2-amine (PubChem CID 63268869) has the molecular formula C13H19F2NO and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
PubChem CID63268869
Molecular FormulaC13H19F2NO
Molecular Weight243.30 g/mol
Exact Mass243.14
IUPAC Name1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
SMILESCCCNC(CC)COc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO/c1-3-7-16-11(4-2)9-17-13-8-10(14)5-6-12(13)15/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyWENHEQXWXWTGBU-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
1-(3,5-difluorophenoxy)-N-propylbutan-2-amine
CID 62785968
1-(2,6-difluorophenoxy)-N-propylbutan-2-amine
CID 81268673
N-[1-[4-fluoro-2-(2-methylbutoxy)phenyl]ethyl]propan-1-amine
CID 55192696
1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095
1-(4-ethyl-2-methoxyphenoxy)-N-propylbutan-2-amine
CID 107664411
1-(5-fluoro-2-methylphenyl)-N-propylbutan-2-amine
CID 105373717
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine?
The IUPAC name of 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine (CID 63268869) is 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine is CCCNC(CC)COc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine?
The InChIKey is WENHEQXWXWTGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO/c1-3-7-16-11(4-2)9-17-13-8-10(14)5-6-12(13)15/h5-6,8,11,16H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine?
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine has a molecular weight of 243.30 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenoxy)-N-propylbutan-2-amine is sourced from PubChem (CID 63268869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).