1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol

C15H23F2NO2 — CID 106285464

IUPAC1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C15H23F2NO2/c1-3-10(4-2)14(19)8-18-9-15(20)12-7-11(16)5-6-13(12)17/h5-7,10,14-15,18-20H,3-4,8-9H2,1-2H3
InChIKeyOMQDDSXPLOILJZ-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.38
Rot. Bonds8

About 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol

1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol (PubChem CID 106285464) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
PubChem CID106285464
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C15H23F2NO2/c1-3-10(4-2)14(19)8-18-9-15(20)12-7-11(16)5-6-13(12)17/h5-7,10,14-15,18-20H,3-4,8-9H2,1-2H3
InChIKeyOMQDDSXPLOILJZ-UHFFFAOYSA-N
XLogP2.38
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106285676
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285685
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
1-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-[(5-chloro-2-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103845041
1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
CID 82944241
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
1-[(2-bromo-4-fluorophenyl)methylamino]-3-ethylpentan-2-ol
CID 103793048
1-[[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 65109009
1-(2,5-difluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905559
2-(2,5-difluorophenyl)pentan-3-ol
CID 79299015

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol (CID 106285464) is 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNCC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
The InChIKey is OMQDDSXPLOILJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO2/c1-3-10(4-2)14(19)8-18-9-15(20)12-7-11(16)5-6-13(12)17/h5-7,10,14-15,18-20H,3-4,8-9H2,1-2H3.
What are the key properties of 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol?
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol has a molecular weight of 287.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106285464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).