1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine

C16H26FNO — CID 43128566

IUPAC1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine
SMILESCCCCC(CC)COc1ccc(C(C)N)cc1F
InChIInChI=1S/C16H26FNO/c1-4-6-7-13(5-2)11-19-16-9-8-14(12(3)18)10-15(16)17/h8-10,12-13H,4-7,11,18H2,1-3H3
InChIKeyQZUOXJPXJSEZMD-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.44
Rot. Bonds8

About 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine

1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine (PubChem CID 43128566) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine
PubChem CID43128566
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine
SMILESCCCCC(CC)COc1ccc(C(C)N)cc1F
InChIInChI=1S/C16H26FNO/c1-4-6-7-13(5-2)11-19-16-9-8-14(12(3)18)10-15(16)17/h8-10,12-13H,4-7,11,18H2,1-3H3
InChIKeyQZUOXJPXJSEZMD-UHFFFAOYSA-N
XLogP4.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(2-ethylhexoxy)phenyl]ethanamine
CID 63499413
(1S)-1-[3-(2-ethylhexoxy)phenyl]ethanamine
CID 55188858
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
3-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]-2-methylpropanamide
CID 113389494
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
CID 63594054
(1R)-1-[3-fluoro-4-(3-methylsulfanylpropoxy)phenyl]ethanamine
CID 104863322
6-[4-[(1R)-1-aminoethyl]-2-fluorophenoxy]hexan-1-ol
CID 107702850
1-[4-(4,4-dimethylpentoxy)-3-fluorophenyl]ethanamine
CID 114209334
1-(3-fluoro-4-methoxyphenyl)hexan-1-amine
CID 43474211
4-bromo-2-[5-bromo-2-(2-ethylhexoxy)phenyl]-1-(2-ethylhexoxy)benzene
CID 169014033
(1R)-1-[3-fluoro-4-(3,3,3-trifluoropropoxy)phenyl]ethanamine
CID 82956090

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine?
The IUPAC name of 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine (CID 43128566) is 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine?
The canonical SMILES for 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine is CCCCC(CC)COc1ccc(C(C)N)cc1F.
What is the InChIKey of 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine?
The InChIKey is QZUOXJPXJSEZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-4-6-7-13(5-2)11-19-16-9-8-14(12(3)18)10-15(16)17/h8-10,12-13H,4-7,11,18H2,1-3H3.
What are the key properties of 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine?
1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine has a molecular weight of 267.39 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylhexoxy)-3-fluorophenyl]ethanamine is sourced from PubChem (CID 43128566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).