3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol

C15H24FNO — CID 113261396

IUPAC3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-12(5-2)15(18)10-17-11(3)13-7-6-8-14(16)9-13/h6-9,11-12,15,17-18H,4-5,10H2,1-3H3
InChIKeyWTNTXIDABXWHHH-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.27
Rot. Bonds7

About 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol

3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol (PubChem CID 113261396) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
PubChem CID113261396
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1cccc(F)c1
InChIInChI=1S/C15H24FNO/c1-4-12(5-2)15(18)10-17-11(3)13-7-6-8-14(16)9-13/h6-9,11-12,15,17-18H,4-5,10H2,1-3H3
InChIKeyWTNTXIDABXWHHH-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
CID 103783024
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-methylpropanenitrile
CID 81365817
4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-3-hydroxybutanoic acid
CID 103258732
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103783021
1-[1-(2-bromo-4-fluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 106284625
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699
3-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanoic acid
CID 81351937
1-(3-fluorophenyl)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355439
1-(3-fluorophenyl)-2-[[(1S)-1-(4-methylphenyl)ethyl]amino]ethanol
CID 81355811
1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 103158093

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol (CID 113261396) is 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol is CCC(CC)C(O)CNC(C)c1cccc(F)c1.
What is the InChIKey of 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol?
The InChIKey is WTNTXIDABXWHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-4-12(5-2)15(18)10-17-11(3)13-7-6-8-14(16)9-13/h6-9,11-12,15,17-18H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol?
3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol has a molecular weight of 253.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 113261396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).