2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol

C15H21F2NO2 — CID 64806267

IUPAC2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C15H21F2NO2/c1-2-7-18-15(9-19,11-3-4-11)10-20-12-5-6-13(16)14(17)8-12/h5-6,8,11,18-19H,2-4,7,9-10H2,1H3
InChIKeyLWYBIASXYQYWFC-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.48
Rot. Bonds8

About 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol

2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol (PubChem CID 64806267) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
PubChem CID64806267
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(COc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C15H21F2NO2/c1-2-7-18-15(9-19,11-3-4-11)10-20-12-5-6-13(16)14(17)8-12/h5-6,8,11,18-19H,2-4,7,9-10H2,1H3
InChIKeyLWYBIASXYQYWFC-UHFFFAOYSA-N
XLogP2.48
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(5-fluoro-2-methylphenoxy)-2-(propylamino)propan-1-ol
CID 102988099
2-cyclopropyl-2-(ethylamino)-3-(3-fluorophenoxy)propan-1-ol
CID 64804172
2-cyclopropyl-3-(2-propan-2-ylphenoxy)-2-(propylamino)propan-1-ol
CID 64804772
4-(3,4-difluorophenoxy)-2-(ethylamino)-2-methylbutan-1-ol
CID 64808141
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propan-2-ylamino)propanamide
CID 63920985
2-cyclopropyl-3-(2,4-dimethylphenoxy)-2-(ethylamino)propan-1-ol
CID 64802024
2-cyclopropyl-3-(4-methylpentan-2-yloxy)-2-(propylamino)propan-1-ol
CID 64802589
2-cyclopropyl-2-(propylamino)-3-propylsulfanylpropan-1-ol
CID 64819951
2-cyclopropyl-3-(N-ethyl-3-methylanilino)-2-(propylamino)propan-1-ol
CID 64825667
3-(4-fluorophenoxy)-2-methyl-2-(propylamino)propan-1-ol
CID 64803556
2-cyclopropyl-2-(cyclopropylamino)-3-[3-(hydroxymethyl)phenoxy]propan-1-ol
CID 64810413
3-butoxy-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64807100

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol (CID 64806267) is 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol is CCCNC(CO)(COc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol?
The InChIKey is LWYBIASXYQYWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-2-7-18-15(9-19,11-3-4-11)10-20-12-5-6-13(16)14(17)8-12/h5-6,8,11,18-19H,2-4,7,9-10H2,1H3.
What are the key properties of 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol has a molecular weight of 285.33 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,4-difluorophenoxy)-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64806267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).