4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide

C9H10F3N3 — CID 62200669

IUPAC4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NC)cc1C(F)(F)F
InChIInChI=1S/C9H10F3N3/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4,15H,1H3,(H3,13,14)
InChIKeyKLBIKGSXHBLUNY-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.03
Rot. Bonds2

About 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide

4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 62200669) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID62200669
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NC)cc1C(F)(F)F
InChIInChI=1S/C9H10F3N3/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4,15H,1H3,(H3,13,14)
InChIKeyKLBIKGSXHBLUNY-UHFFFAOYSA-N
XLogP2.03
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylsulfamoylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 65483976
3-[4-carbamimidoyl-3-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 79162710
4-(2-methylpropylsulfonylamino)-2-(trifluoromethyl)benzenecarboximidamide
CID 65483393
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
4-(4-methylphenyl)sulfanyl-2-(trifluoromethyl)benzenecarboximidamide
CID 43320980
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380
4-(2-hydroxyethoxy)-2-(trifluoromethyl)benzenecarboximidamide
CID 43138698
4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 62488493
acetic acid;2-(trifluoromethyl)benzenecarboximidamide
CID 122360504
4-(4-methylazepan-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 63624277
4-(2,4-dimethylpiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 62330156

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide (CID 62200669) is 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(NC)cc1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is KLBIKGSXHBLUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-15-5-2-3-6(8(13)14)7(4-5)9(10,11)12/h2-4,15H,1H3,(H3,13,14).
What are the key properties of 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide?
4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 217.19 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 62200669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).