4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide

C11H14F3N3 — CID 43263482

IUPAC4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC)cc1C(F)(F)F
InChIInChI=1S/C11H14F3N3/c1-3-17(2)7-4-5-8(10(15)16)9(6-7)11(12,13)14/h4-6H,3H2,1-2H3,(H3,15,16)
InChIKeyHMDILYYOUGUDOT-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.45
Rot. Bonds3

About 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide

4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43263482) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID43263482
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC)cc1C(F)(F)F
InChIInChI=1S/C11H14F3N3/c1-3-17(2)7-4-5-8(10(15)16)9(6-7)11(12,13)14/h4-6H,3H2,1-2H3,(H3,15,16)
InChIKeyHMDILYYOUGUDOT-UHFFFAOYSA-N
XLogP2.45
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide (CID 43263482) is 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)CC)cc1C(F)(F)F.
What is the InChIKey of 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is HMDILYYOUGUDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-3-17(2)7-4-5-8(10(15)16)9(6-7)11(12,13)14/h4-6H,3H2,1-2H3,(H3,15,16).
What are the key properties of 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide?
4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 245.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43263482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).