(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine

C19H20N4O2 — CID 118974990

IUPAC(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine
SMILESC/C(=N\OCc1ccc(C)cc1)c1ccc(OCn2cncn2)cc1
InChIInChI=1S/C19H20N4O2/c1-15-3-5-17(6-4-15)11-25-22-16(2)18-7-9-19(10-8-18)24-14-23-13-20-12-21-23/h3-10,12-13H,11,14H2,1-2H3/b22-16+
InChIKeyOHGYIVTZQJKNJN-CJLVFECKSA-N
MW336.40 g/mol
LogP3.56
Rot. Bonds7

About (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine

(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine (PubChem CID 118974990) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine
PubChem CID118974990
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine
SMILESC/C(=N\OCc1ccc(C)cc1)c1ccc(OCn2cncn2)cc1
InChIInChI=1S/C19H20N4O2/c1-15-3-5-17(6-4-15)11-25-22-16(2)18-7-9-19(10-8-18)24-14-23-13-20-12-21-23/h3-10,12-13H,11,14H2,1-2H3/b22-16+
InChIKeyOHGYIVTZQJKNJN-CJLVFECKSA-N
XLogP3.56
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine 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-[(4-methylphenoxy)methyl]-1,2,4-triazole
CID 23517766
(E)-N-[(4-methylphenyl)methoxy]-1-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanimine
CID 118975002
(E)-N-phenylmethoxy-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanimine
CID 42935131
(E)-1-[4-(triazol-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248780
ethane;4-[[(E)-1-(4-methylphenyl)ethylideneamino]oxymethyl]benzonitrile
CID 145492702
1-(4-ethoxyphenyl)-N-phenylmethoxyethanimine
CID 141463783
1-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118238893
1-[[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]pyrrolidine-2,5-dione
CID 118954254
1-[(4-methylphenyl)methyl]-1,2,4-triazole;hydrochloride
CID 20552296
2-[5-[[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]methyl]tetrazol-2-yl]ethanol
CID 118248832
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]acetonitrile
CID 118238868
(E)-1-(4-prop-2-ynoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954273

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine?
The IUPAC name of (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine (CID 118974990) is (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine.
What is the SMILES notation for (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine?
The canonical SMILES for (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine is C/C(=N\OCc1ccc(C)cc1)c1ccc(OCn2cncn2)cc1.
What is the InChIKey of (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine?
The InChIKey is OHGYIVTZQJKNJN-CJLVFECKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15-3-5-17(6-4-15)11-25-22-16(2)18-7-9-19(10-8-18)24-14-23-13-20-12-21-23/h3-10,12-13H,11,14H2,1-2H3/b22-16+.
What are the key properties of (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine?
(E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine has a molecular weight of 336.40 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methylphenyl)methoxy]-1-[4-(1,2,4-triazol-1-ylmethoxy)phenyl]ethanimine is sourced from PubChem (CID 118974990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).