1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine

C17H28FNO — CID 107716594

IUPAC1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
SMILESCCCCC(CC)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C17H28FNO/c1-5-7-8-14(6-2)12-20-15-9-10-16(13(3)19-4)17(18)11-15/h9-11,13-14,19H,5-8,12H2,1-4H3
InChIKeyNKAQJOMDWGUMJJ-UHFFFAOYSA-N
MW281.42 g/mol
LogP4.70
Rot. Bonds9

About 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine

1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine (PubChem CID 107716594) has the molecular formula C17H28FNO and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
PubChem CID107716594
Molecular FormulaC17H28FNO
Molecular Weight281.42 g/mol
Exact Mass281.22
IUPAC Name1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
SMILESCCCCC(CC)COc1ccc(C(C)NC)c(F)c1
InChIInChI=1S/C17H28FNO/c1-5-7-8-14(6-2)12-20-15-9-10-16(13(3)19-4)17(18)11-15/h9-11,13-14,19H,5-8,12H2,1-4H3
InChIKeyNKAQJOMDWGUMJJ-UHFFFAOYSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-ethylhexoxy)-4-methoxyphenyl]-N-methylethanamine
CID 82000355
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
1-(2-fluoro-4-pentan-2-yloxyphenyl)-N-methylethanamine
CID 107891171
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
1-ethoxy-3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]propan-2-ol
CID 107716918
1-[2-fluoro-4-(4-methoxybutoxy)phenyl]-N-methylethanamine
CID 107716952
3-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-2-methylpropanamide
CID 107716852
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
1-[4-[2-(diethylamino)ethoxy]-2-fluorophenyl]-N-methylethanamine
CID 107716917
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-methylacetamide
CID 107716600
N-butan-2-yl-2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]acetamide
CID 107716470

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine (CID 107716594) is 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine is CCCCC(CC)COc1ccc(C(C)NC)c(F)c1.
What is the InChIKey of 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine?
The InChIKey is NKAQJOMDWGUMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO/c1-5-7-8-14(6-2)12-20-15-9-10-16(13(3)19-4)17(18)11-15/h9-11,13-14,19H,5-8,12H2,1-4H3.
What are the key properties of 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine?
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine has a molecular weight of 281.42 g/mol, XLogP of 4.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 107716594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).