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

C14H20F3NO — CID 61492242

IUPAC4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCC(C)(C)c1ccc(NCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-13(2,3)11-4-6-12(7-5-11)18-8-9-19-10-14(15,16)17/h4-7,18H,8-10H2,1-3H3
InChIKeyFSFNZDGIVHNGCR-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.97
Rot. Bonds5

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

4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 61492242) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
PubChem CID61492242
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCC(C)(C)c1ccc(NCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-13(2,3)11-4-6-12(7-5-11)18-8-9-19-10-14(15,16)17/h4-7,18H,8-10H2,1-3H3
InChIKeyFSFNZDGIVHNGCR-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.97
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-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54962007
1-(4-tert-butylphenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827300
2-(4-tert-butylphenyl)-2-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 86846512
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-3-amine
CID 54962267
1-tert-butyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64765867
4-tert-butyl-N-[3-(2-methoxyethoxy)propyl]aniline
CID 103409298
6-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridin-2-amine
CID 55259536
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-amine
CID 63828976
4-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491160
N-[4-[3-(2,2,2-trifluoroethoxy)propylamino]phenyl]acetamide
CID 61491158
4-propyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491042

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The IUPAC name of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 61492242) is 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.
What is the SMILES notation for 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The canonical SMILES for 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is CC(C)(C)c1ccc(NCCOCC(F)(F)F)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The InChIKey is FSFNZDGIVHNGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-13(2,3)11-4-6-12(7-5-11)18-8-9-19-10-14(15,16)17/h4-7,18H,8-10H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 275.31 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 61492242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).