1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine

C10H13F3N2O — CID 14793684

IUPAC1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-16-5-4-15-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6,15H,4-5,14H2,1H3
InChIKeyZRTVBQUGPGLDGS-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.35
Rot. Bonds4

About 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine

1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 14793684) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID14793684
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCOCCNc1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C10H13F3N2O/c1-16-5-4-15-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6,15H,4-5,14H2,1H3
InChIKeyZRTVBQUGPGLDGS-UHFFFAOYSA-N
XLogP2.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(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 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 14793684) is 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine is COCCNc1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is ZRTVBQUGPGLDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-16-5-4-15-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6,15H,4-5,14H2,1H3.
What are the key properties of 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 14793684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).