N-(difluoromethyl)-2-methanimidoyl-4-methylaniline

C9H10F2N2 — CID 176988772

IUPACN-(difluoromethyl)-2-methanimidoyl-4-methylaniline
SMILES[H]/N=C/c1cc(C)ccc1NC(F)F
InChIInChI=1S/C9H10F2N2/c1-6-2-3-8(13-9(10)11)7(4-6)5-12/h2-5,9,12-13H,1H3/b12-5+
InChIKeyZBDYNSLDCXZAET-LFYBBSHMSA-N
MW184.19 g/mol
LogP2.63
Rot. Bonds3

About N-(difluoromethyl)-2-methanimidoyl-4-methylaniline

N-(difluoromethyl)-2-methanimidoyl-4-methylaniline (PubChem CID 176988772) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-(difluoromethyl)-2-methanimidoyl-4-methylaniline.

Molecular Properties

Compound NameN-(difluoromethyl)-2-methanimidoyl-4-methylaniline
PubChem CID176988772
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-(difluoromethyl)-2-methanimidoyl-4-methylaniline
SMILES[H]/N=C/c1cc(C)ccc1NC(F)F
InChIInChI=1S/C9H10F2N2/c1-6-2-3-8(13-9(10)11)7(4-6)5-12/h2-5,9,12-13H,1H3/b12-5+
InChIKeyZBDYNSLDCXZAET-LFYBBSHMSA-N
XLogP2.63
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methanimidoyl-4-methylanilino)butanenitrile
CID 144928821
2-methanimidoyl-4-methylbenzaldehyde
CID 22447756
N-(2-methanimidoyl-5-methylphenyl)ethanimine
CID 118350033
2-methanimidoyl-5-methyl-N-(3-methylphenyl)aniline
CID 155713746
4-bromo-N-(1-ethoxypropyl)-2-methanimidoylaniline
CID 177232352
4-methanimidoyl-3-N,6-dimethylbenzene-1,3-diamine
CID 146283933
ethane;2-methanimidoyl-4-methylaniline;4-methylpyridine
CID 143786948
ethane;2-methanimidoyl-N-(3-methoxypropyl)-5-methylaniline
CID 143562507
(6-methyl-1H-indol-3-yl)methanimine
CID 143049497
N-(1-ethoxybutyl)-2-methanimidoyl-4-[(E)-1-(4-methylphenyl)-2-phenylbut-1-enyl]aniline
CID 145199920
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
ethane;2-methanimidoyl-N,4-dimethyl-5-propan-2-ylaniline
CID 176694219

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-2-methanimidoyl-4-methylaniline?
The IUPAC name of N-(difluoromethyl)-2-methanimidoyl-4-methylaniline (CID 176988772) is N-(difluoromethyl)-2-methanimidoyl-4-methylaniline.
What is the SMILES notation for N-(difluoromethyl)-2-methanimidoyl-4-methylaniline?
The canonical SMILES for N-(difluoromethyl)-2-methanimidoyl-4-methylaniline is [H]/N=C/c1cc(C)ccc1NC(F)F.
What is the InChIKey of N-(difluoromethyl)-2-methanimidoyl-4-methylaniline?
The InChIKey is ZBDYNSLDCXZAET-LFYBBSHMSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-6-2-3-8(13-9(10)11)7(4-6)5-12/h2-5,9,12-13H,1H3/b12-5+.
What are the key properties of N-(difluoromethyl)-2-methanimidoyl-4-methylaniline?
N-(difluoromethyl)-2-methanimidoyl-4-methylaniline has a molecular weight of 184.19 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-2-methanimidoyl-4-methylaniline is sourced from PubChem (CID 176988772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).