1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine

C22H25F3N2O3 — CID 20684469

IUPAC1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine
SMILESCCCO/N=C(C)/C(=N/OCC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3/c1-4-13-30-26-16(3)21(27-29-5-2)18-9-11-20(12-10-18)28-15-17-7-6-8-19(14-17)22(23,24)25/h6-12,14H,4-5,13,15H2,1-3H3/b26-16+,27-21-
InChIKeyJSFIXVDXTDHZBO-SGIQSXFYSA-N
MW422.45 g/mol
LogP5.83
Rot. Bonds10

About 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine

1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine (PubChem CID 20684469) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine.

Molecular Properties

Compound Name1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine
PubChem CID20684469
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC Name1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine
SMILESCCCO/N=C(C)/C(=N/OCC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3/c1-4-13-30-26-16(3)21(27-29-5-2)18-9-11-20(12-10-18)28-15-17-7-6-8-19(14-17)22(23,24)25/h6-12,14H,4-5,13,15H2,1-3H3/b26-16+,27-21-
InChIKeyJSFIXVDXTDHZBO-SGIQSXFYSA-N
XLogP5.83
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine 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

(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
CID 59967532
(NE)-N-[(1E)-1-ethoxyimino-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 135545163
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
methyl 3-methoxy-2-[2-[[[(1E)-1-prop-2-ynoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-ylidene]amino]oxymethyl]phenyl]prop-2-enoate
CID 172938924
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
methyl 2-ethoxyimino-2-[2-[1-[[2-prop-2-ynoxyimino-2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylidene]amino]oxyethyl]phenyl]acetate
CID 173309464
1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
CID 72609352
1-ethyl-2-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627169
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethanamine
CID 29016755
3-[[3-(trifluoromethyl)phenyl]methoxy]benzenecarbothioamide
CID 29016770

Frequently Asked Questions

What is the IUPAC name of 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine?
The IUPAC name of 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine (CID 20684469) is 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine.
What is the SMILES notation for 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine?
The canonical SMILES for 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine is CCCO/N=C(C)/C(=N/OCC)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine?
The InChIKey is JSFIXVDXTDHZBO-SGIQSXFYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-4-13-30-26-16(3)21(27-29-5-2)18-9-11-20(12-10-18)28-15-17-7-6-8-19(14-17)22(23,24)25/h6-12,14H,4-5,13,15H2,1-3H3/b26-16+,27-21-.
What are the key properties of 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine?
1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine has a molecular weight of 422.45 g/mol, XLogP of 5.83, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine is sourced from PubChem (CID 20684469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).