4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol

C13H19F2NO2 — CID 64898653

IUPAC4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-2-6-16-11(5-7-17)9-18-13-8-10(14)3-4-12(13)15/h3-4,8,11,16-17H,2,5-7,9H2,1H3
InChIKeyYGRLQPLMAANZPR-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.09
Rot. Bonds8

About 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol

4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol (PubChem CID 64898653) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
PubChem CID64898653
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)COc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-2-6-16-11(5-7-17)9-18-13-8-10(14)3-4-12(13)15/h3-4,8,11,16-17H,2,5-7,9H2,1H3
InChIKeyYGRLQPLMAANZPR-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
4-(2-methoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899284
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
4-(4-propoxyphenoxy)-3-(propylamino)butan-1-ol
CID 64899515
4-(2-methylquinolin-8-yl)oxy-3-(propylamino)butan-1-ol
CID 64900145
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
N-[1-[4-fluoro-2-(2-methylpentoxy)phenyl]ethyl]propan-1-amine
CID 63485327
2-(2,5-difluorophenoxy)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 63268910

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol (CID 64898653) is 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol is CCCNC(CCO)COc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol?
The InChIKey is YGRLQPLMAANZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-2-6-16-11(5-7-17)9-18-13-8-10(14)3-4-12(13)15/h3-4,8,11,16-17H,2,5-7,9H2,1H3.
What are the key properties of 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol?
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).