2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline

C15H13F3N2 — CID 143075908

IUPAC2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline
SMILES[H]/N=C/c1cccc(C)c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2/c1-10-3-2-4-11(9-19)14(10)20-13-7-5-12(6-8-13)15(16,17)18/h2-9,19-20H,1H3/b19-9+
InChIKeyHKQKZLIUMABXEY-DJKKODMXSA-N
MW278.28 g/mol
LogP4.76
Rot. Bonds3

About 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline

2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 143075908) has the molecular formula C15H13F3N2 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID143075908
Molecular FormulaC15H13F3N2
Molecular Weight278.28 g/mol
Exact Mass278.10
IUPAC Name2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline
SMILES[H]/N=C/c1cccc(C)c1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2/c1-10-3-2-4-11(9-19)14(10)20-13-7-5-12(6-8-13)15(16,17)18/h2-9,19-20H,1H3/b19-9+
InChIKeyHKQKZLIUMABXEY-DJKKODMXSA-N
XLogP4.76
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
N-[2-methyl-6-[4-(trifluoromethyl)phenyl]phenyl]formamide
CID 102337966
2-bromo-6-methanimidoyl-N-methylaniline
CID 142903029
3-(methylamino)-4-[4-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 164680866
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 61229555
3-methanimidoyl-4-[3-(trifluoromethyl)anilino]benzoic acid
CID 91425564
(E)-N-(2,6-dimethylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 26894403
N-(4-fluorophenyl)-2-methanimidoyl-5-methyl-4-[(1R,5S,6R)-3-methylsulfonyl-6-[3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-1-yl]aniline
CID 169012522
6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 80920368
1-N-(2-chloro-6-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 66253362
4-[3-methanimidoyl-2-(methylamino)phenyl]-3-methylphenol
CID 130459502

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline (CID 143075908) is 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline is [H]/N=C/c1cccc(C)c1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is HKQKZLIUMABXEY-DJKKODMXSA-N. The full InChI is InChI=1S/C15H13F3N2/c1-10-3-2-4-11(9-19)14(10)20-13-7-5-12(6-8-13)15(16,17)18/h2-9,19-20H,1H3/b19-9+.
What are the key properties of 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline?
2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 278.28 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 143075908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).