N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine

C14H19F4NO — CID 82788452

IUPACN-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1OCCCC(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-3-19-10(2)13-11(15)6-4-7-12(13)20-9-5-8-14(16,17)18/h4,6-7,10,19H,3,5,8-9H2,1-2H3
InChIKeyODVJATOLMKMHFK-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.22
Rot. Bonds7

About N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine

N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine (PubChem CID 82788452) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
PubChem CID82788452
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
SMILESCCNC(C)c1c(F)cccc1OCCCC(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-3-19-10(2)13-11(15)6-4-7-12(13)20-9-5-8-14(16,17)18/h4,6-7,10,19H,3,5,8-9H2,1-2H3
InChIKeyODVJATOLMKMHFK-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethyl]propan-1-amine
CID 82782468
(1S)-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82788790
1-[2-(2,2-difluoroethoxy)-6-fluorophenyl]-N-ethylethanamine
CID 82006421
N-ethyl-1-[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 82787624
N-ethyl-1-[2-fluoro-6-(2-methoxyphenoxy)phenyl]ethanamine
CID 43285597
N-[1-(2-fluoro-6-propoxyphenyl)ethyl]propan-1-amine
CID 43286026
3-[3-fluoro-2-[1-(propylamino)ethyl]phenoxy]propan-1-ol
CID 43285956
N-ethyl-1-[4-methyl-2-(4,4,4-trifluorobutoxy)phenyl]ethanamine
CID 115513259
1-[3-chloro-4-(4,4,4-trifluorobutoxy)phenyl]-N-ethylethanamine
CID 82790108
N-ethyl-1-(2-fluoro-6-octan-2-yloxyphenyl)ethanamine
CID 43285741
1-[2-(3-bromophenoxy)-6-fluorophenyl]-N-ethylethanamine
CID 43285545
1-[2-fluoro-6-(3-methylbutoxy)phenyl]-N-methylethanamine
CID 43285076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine (CID 82788452) is N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine is CCNC(C)c1c(F)cccc1OCCCC(F)(F)F.
What is the InChIKey of N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine?
The InChIKey is ODVJATOLMKMHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-3-19-10(2)13-11(15)6-4-7-12(13)20-9-5-8-14(16,17)18/h4,6-7,10,19H,3,5,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine?
N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine has a molecular weight of 293.30 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-fluoro-6-(4,4,4-trifluorobutoxy)phenyl]ethanamine is sourced from PubChem (CID 82788452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).