1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol

C15H23F2NO — CID 103716969

IUPAC1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-4-11(5-2)15(19)9-18-10(3)12-6-7-13(16)14(17)8-12/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyQGOCHRBLPYKEHO-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.41
Rot. Bonds7

About 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol

1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol (PubChem CID 103716969) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
PubChem CID103716969
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H23F2NO/c1-4-11(5-2)15(19)9-18-10(3)12-6-7-13(16)14(17)8-12/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3
InChIKeyQGOCHRBLPYKEHO-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783024
3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
CID 113261396
1-[1-(3-fluoro-4-methylphenyl)ethylamino]-3-methylbutan-2-ol
CID 113261628
(2R)-1-[[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]amino]butan-2-ol
CID 97051735
1-[1-(2,4-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284484
1-[1-(2,5-dichlorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284802
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol
CID 103783080
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol (CID 103716969) is 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC(C)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol?
The InChIKey is QGOCHRBLPYKEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-4-11(5-2)15(19)9-18-10(3)12-6-7-13(16)14(17)8-12/h6-8,10-11,15,18-19H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol?
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol has a molecular weight of 271.35 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol is sourced from PubChem (CID 103716969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).