3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine

C13H19F3N2O2 — CID 154080943

IUPAC3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCOCCc1cc(N)c(C(F)(F)F)c(CCOC)c1N
InChIInChI=1S/C13H19F3N2O2/c1-19-5-3-8-7-10(17)11(13(14,15)16)9(12(8)18)4-6-20-2/h7H,3-6,17-18H2,1-2H3
InChIKeyVFHMCBIYRYGLHU-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.25
Rot. Bonds6

About 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine

3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 154080943) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID154080943
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCOCCc1cc(N)c(C(F)(F)F)c(CCOC)c1N
InChIInChI=1S/C13H19F3N2O2/c1-19-5-3-8-7-10(17)11(13(14,15)16)9(12(8)18)4-6-20-2/h7H,3-6,17-18H2,1-2H3
InChIKeyVFHMCBIYRYGLHU-UHFFFAOYSA-N
XLogP2.25
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 154080943) is 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine is COCCc1cc(N)c(C(F)(F)F)c(CCOC)c1N.
What is the InChIKey of 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is VFHMCBIYRYGLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-19-5-3-8-7-10(17)11(13(14,15)16)9(12(8)18)4-6-20-2/h7H,3-6,17-18H2,1-2H3.
What are the key properties of 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 292.30 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 154080943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).