4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

C12H16F3NO — CID 54962007

IUPAC4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCCc1ccc(NCCOCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-10-3-5-11(6-4-10)16-7-8-17-9-12(13,14)15/h3-6,16H,2,7-9H2,1H3
InChIKeyXRWKSTAIVKSANA-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.24
Rot. Bonds6

About 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 54962007) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
PubChem CID54962007
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCCc1ccc(NCCOCC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-2-10-3-5-11(6-4-10)16-7-8-17-9-12(13,14)15/h3-6,16H,2,7-9H2,1H3
InChIKeyXRWKSTAIVKSANA-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.24
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

4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492510
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491042
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
2-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetonitrile
CID 62301681
N-(2-butoxyethyl)-4-butylaniline
CID 63489745
4-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491160
N'-tert-butyl-N-(4-ethylphenyl)ethane-1,2-diamine
CID 107444584
methyl 2-amino-5-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoate
CID 63832853
2-(4-ethylanilino)ethyl 2-methylprop-2-enoate
CID 57248614
N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 61491158
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The IUPAC name of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 54962007) is 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.
What is the SMILES notation for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The canonical SMILES for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is CCc1ccc(NCCOCC(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The InChIKey is XRWKSTAIVKSANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-10-3-5-11(6-4-10)16-7-8-17-9-12(13,14)15/h3-6,16H,2,7-9H2,1H3.
What are the key properties of 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 247.26 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 54962007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).