2,5-dimethoxyaniline;3-(trifluoromethyl)aniline

C15H17F3N2O2 — CID 159455621

IUPAC2,5-dimethoxyaniline;3-(trifluoromethyl)aniline
SMILESCOc1ccc(OC)c(N)c1.Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H11NO2.C7H6F3N/c1-10-6-3-4-8(11-2)7(9)5-6;8-7(9,10)5-2-1-3-6(11)4-5/h3-5H,9H2,1-2H3;1-4H,11H2
InChIKeyLTXXOHLOQWCVKX-UHFFFAOYSA-N
MW314.31 g/mol
LogP3.57
Rot. Bonds2

About 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline

2,5-dimethoxyaniline;3-(trifluoromethyl)aniline (PubChem CID 159455621) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2,5-dimethoxyaniline;3-(trifluoromethyl)aniline
PubChem CID159455621
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC Name2,5-dimethoxyaniline;3-(trifluoromethyl)aniline
SMILESCOc1ccc(OC)c(N)c1.Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H11NO2.C7H6F3N/c1-10-6-3-4-8(11-2)7(9)5-6;8-7(9,10)5-2-1-3-6(11)4-5/h3-5H,9H2,1-2H3;1-4H,11H2
InChIKeyLTXXOHLOQWCVKX-UHFFFAOYSA-N
XLogP3.57
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
5-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 16777766
aniline;3-(trifluoromethyl)aniline
CID 160634583
4-chloro-3-(trifluoromethyl)aniline;2-methoxy-5-(trifluoromethyl)aniline
CID 23137212
(2-amino-5-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 69458857
5-methoxy-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 16776346
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866
3-methoxyaniline;sulfane
CID 174447811
sulfuric acid;3-(trifluoromethyl)aniline
CID 171926683
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
5-methoxy-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
CID 114449787

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline?
The IUPAC name of 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline (CID 159455621) is 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline.
What is the SMILES notation for 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline?
The canonical SMILES for 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline is COc1ccc(OC)c(N)c1.Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline?
The InChIKey is LTXXOHLOQWCVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.C7H6F3N/c1-10-6-3-4-8(11-2)7(9)5-6;8-7(9,10)5-2-1-3-6(11)4-5/h3-5H,9H2,1-2H3;1-4H,11H2.
What are the key properties of 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline?
2,5-dimethoxyaniline;3-(trifluoromethyl)aniline has a molecular weight of 314.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxyaniline;3-(trifluoromethyl)aniline is sourced from PubChem (CID 159455621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).