1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine

C13H19F3N2O — CID 63696479

IUPAC1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCOCCN(CC)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-3-18(7-8-19-4-2)12-6-5-10(17)9-11(12)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeySIXRSUPJWWECLB-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.15
Rot. Bonds6

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

1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 63696479) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID63696479
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCCOCCN(CC)c1ccc(N)cc1C(F)(F)F
InChIInChI=1S/C13H19F3N2O/c1-3-18(7-8-19-4-2)12-6-5-10(17)9-11(12)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3
InChIKeySIXRSUPJWWECLB-UHFFFAOYSA-N
XLogP3.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-N-(2-ethoxyethyl)-1-N-ethyl-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

Related Compounds

1-N-(2-ethoxyethyl)-1-N-ethyl-2-methylbenzene-1,4-diamine
CID 63698245
5-amino-2-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 63695956
3-N-ethyl-3-N-propyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 165477053
4-[2-ethoxyethyl(ethyl)amino]-2-(trifluoromethyl)benzenecarbothioamide
CID 63691278
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81059481
2-N-(2-ethoxyethyl)-2-N-ethyl-1,3-benzoxazole-2,5-diamine
CID 79891045
4-[2-ethoxyethyl(ethyl)amino]-2,3-difluorobenzoic acid
CID 114017930
2-[4-bromo-N-ethyl-2-(trifluoromethyl)anilino]ethanol
CID 65483629
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
2-bromo-4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarbothioamide
CID 107535123
1-[4-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]ethanone
CID 63697407
N-[4-amino-2-(trifluoromethyl)phenyl]-2-(dimethylamino)-N-methylacetamide
CID 141144605

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine (CID 63696479) is 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine is CCOCCN(CC)c1ccc(N)cc1C(F)(F)F.
What is the InChIKey of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is SIXRSUPJWWECLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-3-18(7-8-19-4-2)12-6-5-10(17)9-11(12)13(14,15)16/h5-6,9H,3-4,7-8,17H2,1-2H3.
What are the key properties of 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine?
1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 276.30 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-1-N-ethyl-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 63696479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).