1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine

C14H17F3N2O — CID 145017288

IUPAC1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine
SMILES[H]/N=C(\CC(OC)C(F)(F)F)c1ccc(C(=C)N)c(C)c1
InChIInChI=1S/C14H17F3N2O/c1-8-6-10(4-5-11(8)9(2)18)12(19)7-13(20-3)14(15,16)17/h4-6,13,19H,2,7,18H2,1,3H3/b19-12+
InChIKeyCHDNJANECWLJGV-XDHOZWIPSA-N
MW286.30 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine

1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine (PubChem CID 145017288) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine.

Molecular Properties

Compound Name1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine
PubChem CID145017288
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine
SMILES[H]/N=C(\CC(OC)C(F)(F)F)c1ccc(C(=C)N)c(C)c1
InChIInChI=1S/C14H17F3N2O/c1-8-6-10(4-5-11(8)9(2)18)12(19)7-13(20-3)14(15,16)17/h4-6,13,19H,2,7,18H2,1,3H3/b19-12+
InChIKeyCHDNJANECWLJGV-XDHOZWIPSA-N
XLogP3.26
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methoxyprop-2-enylamino)-3-methylbenzenecarboximidamide
CID 21341373
1-(4-heptan-4-yloxy-2-methylphenyl)ethenamine
CID 143718335
3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
1-[4-[2-(2-fluoropropan-2-yl)phenyl]-3-methylphenyl]-4-methylpent-4-en-1-imine
CID 167054795
2-methyl-4-[methyl(3,3,3-trifluoropropyl)amino]benzenecarboximidamide
CID 81278791
2-methyl-5-[2-methyl-4-(4-methylpent-4-enimidoyl)phenyl]aniline
CID 167054767
1-(2,4,5-trimethylphenyl)ethenamine
CID 134277556
ethyl 4-[4-(C-ethoxycarbonimidoyl)phenyl]benzenecarboximidate;methane
CID 159044199
3-methyl-N-methylidene-4-[(3Z)-penta-1,3-dien-2-yl]benzenecarboximidamide;propane
CID 142975222
4-methyl-1-[3-methyl-4-[(3E,5Z)-3-methylhepta-1,3,5-trien-4-yl]phenyl]pent-4-en-1-imine
CID 167054725
2-(2-methoxypropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 102698430
ethyl 4-(trifluoromethylsulfanyl)benzenecarboximidate
CID 60985373

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine?
The IUPAC name of 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine (CID 145017288) is 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine.
What is the SMILES notation for 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine?
The canonical SMILES for 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine is [H]/N=C(\CC(OC)C(F)(F)F)c1ccc(C(=C)N)c(C)c1.
What is the InChIKey of 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine?
The InChIKey is CHDNJANECWLJGV-XDHOZWIPSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8-6-10(4-5-11(8)9(2)18)12(19)7-13(20-3)14(15,16)17/h4-6,13,19H,2,7,18H2,1,3H3/b19-12+.
What are the key properties of 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine?
1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine has a molecular weight of 286.30 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(4,4,4-trifluoro-3-methoxybutanimidoyl)phenyl]ethenamine is sourced from PubChem (CID 145017288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).