2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline

C10H11F3N2 — CID 143901601

IUPAC2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline
SMILES[H]/N=C/c1c(C)ccc(C(F)(F)F)c1NC
InChIInChI=1S/C10H11F3N2/c1-6-3-4-8(10(11,12)13)9(15-2)7(6)5-14/h3-5,14-15H,1-2H3/b14-5+
InChIKeyDUWYUGXWLSUPAP-LHHJGKSTSA-N
MW216.21 g/mol
LogP3.05
Rot. Bonds2

About 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline

2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline (PubChem CID 143901601) has the molecular formula C10H11F3N2 and a molecular weight of 216.21 g/mol. Its IUPAC name is 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline
PubChem CID143901601
Molecular FormulaC10H11F3N2
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Name2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline
SMILES[H]/N=C/c1c(C)ccc(C(F)(F)F)c1NC
InChIInChI=1S/C10H11F3N2/c1-6-3-4-8(10(11,12)13)9(15-2)7(6)5-14/h3-5,14-15H,1-2H3/b14-5+
InChIKeyDUWYUGXWLSUPAP-LHHJGKSTSA-N
XLogP3.05
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 53.05
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

6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline
CID 176942982
2-N-methyl-3-(trifluoromethyl)benzene-1,2-diamine
CID 121415871
(NZ)-N-[[2,3-dimethyl-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine;molecular fluorine
CID 54485278
3-amino-2-methanimidoyl-4-(trifluoromethyl)benzoic acid
CID 176942167
N,2,3-trimethyl-4-(trifluoromethyl)aniline
CID 70839196
N,2-dimethyl-6-[[2-(trifluoromethyl)phenyl]iminomethyl]aniline
CID 20749228
2-methanimidoyl-6-methyl-N-[4-(trifluoromethyl)phenyl]aniline
CID 143075908
[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]methanimine
CID 123354447
(2-ethenyl-6-methylphenyl)methanimine
CID 156888236
4-methanimidoyl-3-(3-methoxy-2,6-dimethylphenyl)-5-(methylamino)benzamide
CID 171819874
2-bromo-6-methanimidoyl-N-methylaniline
CID 142903029
3-N,2-dimethyl-5-(trifluoromethyl)pyridine-3,4-diamine
CID 172738194

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline?
The IUPAC name of 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline (CID 143901601) is 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline is [H]/N=C/c1c(C)ccc(C(F)(F)F)c1NC.
What is the InChIKey of 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline?
The InChIKey is DUWYUGXWLSUPAP-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H11F3N2/c1-6-3-4-8(10(11,12)13)9(15-2)7(6)5-14/h3-5,14-15H,1-2H3/b14-5+.
What are the key properties of 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline?
2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline has a molecular weight of 216.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 143901601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).