5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

C15H23F2NO2 — CID 64810971

IUPAC5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCOc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NO2/c1-11(2)18-15(3,10-19)7-4-8-20-14-9-12(16)5-6-13(14)17/h5-6,9,11,18-19H,4,7-8,10H2,1-3H3
InChIKeyMCTBNELBWVKPLE-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.87
Rot. Bonds8

About 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol

5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 64810971) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID64810971
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCC(C)NC(C)(CO)CCCOc1cc(F)ccc1F
InChIInChI=1S/C15H23F2NO2/c1-11(2)18-15(3,10-19)7-4-8-20-14-9-12(16)5-6-13(14)17/h5-6,9,11,18-19H,4,7-8,10H2,1-3H3
InChIKeyMCTBNELBWVKPLE-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64810357
4-(2,5-difluorophenoxy)-2-methyl-2-(methylamino)butan-1-ol
CID 64808680
6-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64809744
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
5-(2,5-difluorophenoxy)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804787
6-(2,4-dimethylphenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804740
6-(4-fluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64807219
2-methyl-2-(propan-2-ylamino)-5-(4-propan-2-ylphenoxy)pentan-1-ol
CID 64805149
3-(2,4-difluorophenyl)sulfanyl-2-methyl-2-(propan-2-ylamino)propan-1-ol
CID 64821726
3-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 63272894
2-methyl-2-(propan-2-ylamino)-5-(2,3,6-trimethylphenoxy)pentan-1-ol
CID 64805620
4-(2,5-difluorophenoxy)-2-(propan-2-ylamino)butan-1-ol
CID 64809311

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol (CID 64810971) is 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is CC(C)NC(C)(CO)CCCOc1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is MCTBNELBWVKPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-11(2)18-15(3,10-19)7-4-8-20-14-9-12(16)5-6-13(14)17/h5-6,9,11,18-19H,4,7-8,10H2,1-3H3.
What are the key properties of 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol?
5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 287.35 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 64810971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).