N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline

C11H14F3N — CID 10262797

IUPACN-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H14F3N/c1-3-15(8-11(12,13)14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyTZTHFWDTLHTMQI-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.38
Rot. Bonds3

About N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline

N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 10262797) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID10262797
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCN(CC(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C11H14F3N/c1-3-15(8-11(12,13)14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKeyTZTHFWDTLHTMQI-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[ethyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55010438
N'-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 43136052
N-ethyl-4-(ethylaminomethyl)-N-(2,2,2-trifluoroethyl)aniline
CID 55009021
[4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylphenyl]methanol
CID 62135558
1-N-ethyl-2,2-dimethyl-1-N-(4-methylphenyl)butane-1,3-diamine
CID 66453210
4-(N-ethyl-4-methylanilino)-3,3-dimethylbutan-2-ol
CID 66453264
4-(aminomethyl)-N-ethyl-3-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 113295424
2-[(N-ethyl-4-methylanilino)methyl]-3,3,3-trifluoropropanenitrile
CID 103367853
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N-ethyl-4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trifluoroethyl)aniline
CID 71367494
2-[(N-ethyl-4-methylanilino)methyl]-3,3,3-trifluoropropanoic acid
CID 103773405
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methylbenzonitrile
CID 62301790

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline (CID 10262797) is N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline is CCN(CC(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is TZTHFWDTLHTMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-3-15(8-11(12,13)14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline?
N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 217.23 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 10262797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).