(Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine

C19H21F3N2O — CID 142975683

IUPAC(Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine
SMILESC/C=C\C(=N/C)c1ccccc1OC.Cc1ncccc1C(F)(F)F
InChIInChI=1S/C12H15NO.C7H6F3N/c1-4-7-11(13-2)10-8-5-6-9-12(10)14-3;1-5-6(7(8,9)10)3-2-4-11-5/h4-9H,1-3H3;2-4H,1H3/b7-4-,13-11+;
InChIKeyYUVXNSMZEFVJAC-OQTMHKHMSA-N
MW350.38 g/mol
LogP5.10
Rot. Bonds3

About (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine

(Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine (PubChem CID 142975683) has the molecular formula C19H21F3N2O and a molecular weight of 350.38 g/mol. Its IUPAC name is (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name(Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine
PubChem CID142975683
Molecular FormulaC19H21F3N2O
Molecular Weight350.38 g/mol
Exact Mass350.16
IUPAC Name(Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine
SMILESC/C=C\C(=N/C)c1ccccc1OC.Cc1ncccc1C(F)(F)F
InChIInChI=1S/C12H15NO.C7H6F3N/c1-4-7-11(13-2)10-8-5-6-9-12(10)14-3;1-5-6(7(8,9)10)3-2-4-11-5/h4-9H,1-3H3;2-4H,1H3/b7-4-,13-11+;
InChIKeyYUVXNSMZEFVJAC-OQTMHKHMSA-N
XLogP5.10
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.38
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine 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

2-methyl-3-(trifluoromethyl)pyridine
CID 14761443
1-(2-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 90371171
(2-methoxy-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methanone
CID 105098109
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1,1,1-trifluoro-2-(2-methyl-3-pyridinyl)propan-2-ol
CID 127017192
3-(2-methoxy-3-pyridinyl)-1-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 118562115
(E)-1-(2-methoxy-3-pyridinyl)-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 118567668
2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenol
CID 60869902
3-[2-methoxy-6-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 131869157
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
(2-fluoro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methanone
CID 105123706
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine;hydroiodide
CID 111216160

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine?
The IUPAC name of (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine (CID 142975683) is (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine is C/C=C\C(=N/C)c1ccccc1OC.Cc1ncccc1C(F)(F)F.
What is the InChIKey of (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine?
The InChIKey is YUVXNSMZEFVJAC-OQTMHKHMSA-N. The full InChI is InChI=1S/C12H15NO.C7H6F3N/c1-4-7-11(13-2)10-8-5-6-9-12(10)14-3;1-5-6(7(8,9)10)3-2-4-11-5/h4-9H,1-3H3;2-4H,1H3/b7-4-,13-11+;.
What are the key properties of (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine?
(Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine has a molecular weight of 350.38 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-methoxyphenyl)-N-methylbut-2-en-1-imine;2-methyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 142975683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).