4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline

C12H16F3NO — CID 115257768

IUPAC4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCOc1ccc(N(C)CC(F)(F)F)cc1C
InChIInChI=1S/C12H16F3NO/c1-4-17-11-6-5-10(7-9(11)2)16(3)8-12(13,14)15/h5-7H,4,8H2,1-3H3
InChIKeyNADBQFPBUXLFAF-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.39
Rot. Bonds4

About 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline

4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257768) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257768
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCCOc1ccc(N(C)CC(F)(F)F)cc1C
InChIInChI=1S/C12H16F3NO/c1-4-17-11-6-5-10(7-9(11)2)16(3)8-12(13,14)15/h5-7H,4,8H2,1-3H3
InChIKeyNADBQFPBUXLFAF-UHFFFAOYSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-(hydrazinylmethyl)-N,3-dimethylaniline
CID 115260617
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylpropane-1,3-diamine
CID 115197781
3-(4-methoxy-N,3-dimethylanilino)-2,2-dimethylpropan-1-ol
CID 115135188
N'-(4-ethoxy-3-methylphenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201808
2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 81281823
3-N-(4-ethoxy-3-methylphenyl)-3-N,3-dimethylbutane-1,3-diamine
CID 115134578
4-ethoxy-N,3-dimethyl-N-(piperazin-1-ylmethyl)aniline
CID 115229889
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 86938126
[1-[(4-ethoxy-N,3-dimethylanilino)methyl]cyclobutyl]methanol
CID 115246834
4-(2-aminobutyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 63795900
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
3-amino-N-(4-ethoxy-3-methylphenyl)-N,3-dimethylbutanamide
CID 115154910

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257768) is 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline is CCOc1ccc(N(C)CC(F)(F)F)cc1C.
What is the InChIKey of 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is NADBQFPBUXLFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-4-17-11-6-5-10(7-9(11)2)16(3)8-12(13,14)15/h5-7H,4,8H2,1-3H3.
What are the key properties of 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 247.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,3-dimethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).