4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol

C13H19F2NO2 — CID 64809311

IUPAC4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCOc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-9(2)16-11(8-17)5-6-18-13-7-10(14)3-4-12(13)15/h3-4,7,9,11,16-17H,5-6,8H2,1-2H3
InChIKeyYNSFTAVFNDRKBU-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.09
Rot. Bonds7

About 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol

4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64809311) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
PubChem CID64809311
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
SMILESCC(C)NC(CO)CCOc1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2/c1-9(2)16-11(8-17)5-6-18-13-7-10(14)3-4-12(13)15/h3-4,7,9,11,16-17H,5-6,8H2,1-2H3
InChIKeyYNSFTAVFNDRKBU-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butanoic acid
CID 63273100
4-(2,4-difluorophenoxy)-2-(methylamino)butan-1-ol
CID 64803462
4-(2-fluoro-5-methylphenoxy)-2-(methylamino)butan-1-ol
CID 64856313
2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butan-1-ol
CID 64805200
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927
methyl 2-amino-4-(2,5-difluorophenoxy)butanoate
CID 63273139
2-(cyclopropylamino)-3-(2,5-difluorophenoxy)propan-1-ol
CID 64809098
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64810971
6-(2,5-difluorophenoxy)hexan-3-ol
CID 106802707
4-(3,4-difluorophenyl)sulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 64819699
5-(2,5-difluorophenoxy)-N-ethylpentan-2-amine
CID 55169271

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol (CID 64809311) is 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol is CC(C)NC(CO)CCOc1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is YNSFTAVFNDRKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-9(2)16-11(8-17)5-6-18-13-7-10(14)3-4-12(13)15/h3-4,7,9,11,16-17H,5-6,8H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol?
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 259.30 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64809311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).