N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline

C16H15F3N2 — CID 20749228

IUPACN,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline
SMILESCNc1c(C)cccc1/C=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2/c1-11-6-5-7-12(15(11)20-2)10-21-14-9-4-3-8-13(14)16(17,18)19/h3-10,20H,1-2H3/b21-10+
InChIKeyNKHDQDQLEVQQNN-UFFVCSGVSA-N
MW292.30 g/mol
LogP4.81
Rot. Bonds3

About N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline

N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline (PubChem CID 20749228) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline.

Molecular Properties

Compound NameN,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline
PubChem CID20749228
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC NameN,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline
SMILESCNc1c(C)cccc1/C=N/c1ccccc1C(F)(F)F
InChIInChI=1S/C16H15F3N2/c1-11-6-5-7-12(15(11)20-2)10-21-14-9-4-3-8-13(14)16(17,18)19/h3-10,20H,1-2H3/b21-10+
InChIKeyNKHDQDQLEVQQNN-UFFVCSGVSA-N
XLogP4.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 15195578
1-(3-tert-butyl-2-methylphenyl)-N-(2-methylphenyl)methanimine
CID 59926441
2-ethoxy-6-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 135657486
2-methyl-N-thionitroso-6-(trifluoromethyl)aniline
CID 161333009
dichloropalladium;1-(2-diphenylphosphanylphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
CID 139240542
1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine
CID 2197917
2-N-methyl-3-(trifluoromethyl)benzene-1,2-diamine
CID 121415871
1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
CID 71137448
2-[(2-methylphenyl)methylideneamino]phenol
CID 11009223
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
1-(2-ethenylphenyl)-N-(2-methylphenyl)methanimine
CID 145489460

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline?
The IUPAC name of N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline (CID 20749228) is N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline.
What is the SMILES notation for N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline?
The canonical SMILES for N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline is CNc1c(C)cccc1/C=N/c1ccccc1C(F)(F)F.
What is the InChIKey of N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline?
The InChIKey is NKHDQDQLEVQQNN-UFFVCSGVSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-11-6-5-7-12(15(11)20-2)10-21-14-9-4-3-8-13(14)16(17,18)19/h3-10,20H,1-2H3/b21-10+.
What are the key properties of N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline?
N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline has a molecular weight of 292.30 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline is sourced from PubChem (CID 20749228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).