2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

C12H16F3NO — CID 54962118

IUPAC2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCc1ccc(C)c(NCCOCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-9-3-4-10(2)11(7-9)16-5-6-17-8-12(13,14)15/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyYEFBDFFUIFZGGP-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.29
Rot. Bonds5

About 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline

2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (PubChem CID 54962118) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
PubChem CID54962118
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
SMILESCc1ccc(C)c(NCCOCC(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-9-3-4-10(2)11(7-9)16-5-6-17-8-12(13,14)15/h3-4,7,16H,5-6,8H2,1-2H3
InChIKeyYEFBDFFUIFZGGP-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.29
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
N-(2-ethoxyethyl)-2,5-dimethylaniline
CID 43387810
2-chloro-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,4-diamine
CID 115554980
3-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzoic acid
CID 63828854
3-chloro-2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 54961642
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-(trifluoromethyl)aniline
CID 61492201
4-bromo-2,5-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 103843080
5-methyl-3-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzene-1,3-diamine
CID 112647815
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 61492242
5-bromo-4-fluoro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 107591892
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147960
2-chloro-6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 66253887

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The IUPAC name of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline (CID 54962118) is 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The canonical SMILES for 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is Cc1ccc(C)c(NCCOCC(F)(F)F)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
The InChIKey is YEFBDFFUIFZGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-9-3-4-10(2)11(7-9)16-5-6-17-8-12(13,14)15/h3-4,7,16H,5-6,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline?
2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline has a molecular weight of 247.26 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline is sourced from PubChem (CID 54962118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).