N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline

C12H16F3NO2 — CID 70976882

IUPACN-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
SMILESCOCCOCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-16(9-18-8-7-17-2)11-5-3-10(4-6-11)12(13,14)15/h3-6H,7-9H2,1-2H3
InChIKeyOMGLUWSERACFMS-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.76
Rot. Bonds6

About N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline

N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline (PubChem CID 70976882) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
PubChem CID70976882
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC NameN-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline
SMILESCOCCOCN(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-16(9-18-8-7-17-2)11-5-3-10(4-6-11)12(13,14)15/h3-6H,7-9H2,1-2H3
InChIKeyOMGLUWSERACFMS-UHFFFAOYSA-N
XLogP2.76
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline (CID 70976882) is N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline is COCCOCN(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline?
The InChIKey is OMGLUWSERACFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-16(9-18-8-7-17-2)11-5-3-10(4-6-11)12(13,14)15/h3-6H,7-9H2,1-2H3.
What are the key properties of N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline?
N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline has a molecular weight of 263.26 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxymethyl)-N-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 70976882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).