3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol

C16H26FNO — CID 103783024

IUPAC3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-5-13(6-2)16(19)10-18-12(4)14-8-7-11(3)15(17)9-14/h7-9,12-13,16,18-19H,5-6,10H2,1-4H3
InChIKeyYWGHGLQRQGCWAX-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.58
Rot. Bonds7

About 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol

3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol (PubChem CID 103783024) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
PubChem CID103783024
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNC(C)c1ccc(C)c(F)c1
InChIInChI=1S/C16H26FNO/c1-5-13(6-2)16(19)10-18-12(4)14-8-7-11(3)15(17)9-14/h7-9,12-13,16,18-19H,5-6,10H2,1-4H3
InChIKeyYWGHGLQRQGCWAX-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-difluorophenyl)ethylamino]-3-ethylpentan-2-ol
CID 103716969
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
3-ethyl-1-[1-(3-fluorophenyl)ethylamino]pentan-2-ol
CID 113261396
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
1-(3-fluoro-4-methylphenyl)butane-1,2-diol
CID 107128649
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2,3-dimethoxypropan-1-amine
CID 113368956
3-ethyl-1-[1-(4-nitrophenyl)ethylamino]pentan-2-ol
CID 103783080
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
N-[1-(3-fluoro-4-methylphenyl)propyl]hydroxylamine
CID 130150239
(2R)-1-[1-(3-fluoro-4-methylsulfanylphenyl)ethylamino]propan-2-ol
CID 103906795

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol (CID 103783024) is 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol is CCC(CC)C(O)CNC(C)c1ccc(C)c(F)c1.
What is the InChIKey of 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol?
The InChIKey is YWGHGLQRQGCWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-13(6-2)16(19)10-18-12(4)14-8-7-11(3)15(17)9-14/h7-9,12-13,16,18-19H,5-6,10H2,1-4H3.
What are the key properties of 3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol?
3-ethyl-1-[1-(3-fluoro-4-methylphenyl)ethylamino]pentan-2-ol has a molecular weight of 267.39 g/mol, XLogP of 3.58, 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-fluoro-4-methylphenyl)ethylamino]pentan-2-ol is sourced from PubChem (CID 103783024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).