3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide

C11H14F3N3 — CID 103370527

IUPAC3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3N3/c1-17(8-5-3-2-4-6-8)7-9(10(15)16)11(12,13)14/h2-6,9H,7H2,1H3,(H3,15,16)
InChIKeyZPIDQTHIWJOUPN-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.24
Rot. Bonds4

About 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide

3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide (PubChem CID 103370527) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide
PubChem CID103370527
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3N3/c1-17(8-5-3-2-4-6-8)7-9(10(15)16)11(12,13)14/h2-6,9H,7H2,1H3,(H3,15,16)
InChIKeyZPIDQTHIWJOUPN-UHFFFAOYSA-N
XLogP2.24
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.24
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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Related Compounds

3-Amino-1-phenylpyrazole
CID 98736
N-(2,5-Difluorophenyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 2369040
n-Hydroxy-3-(phenylamino)propanimidamide
CID 3683044
3-Amino-1-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-1-ium, iodide
CID 2852153
N-(3-aminopropyl)-2-fluoro-N-methylaniline
CID 28772287
2-Methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-2-ium-5-amine
CID 2853877
N'-hydroxy-3-(phenylamino)propanimidamide
CID 9630926
3-Amino-1-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-1-ium
CID 2852154
((Cyano(imino)methyl)(ethyl)amino)benzene
CID 369713
5-Methyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-amine
CID 15580665
N-(3-aminopropyl)-3-fluoro-N-methylaniline
CID 28772289
Propanimidamide, 2-(phenylamino)-
CID 45122423

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide (CID 103370527) is 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide is [H]/N=C(\N)C(CN(C)c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide?
The InChIKey is ZPIDQTHIWJOUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-17(8-5-3-2-4-6-8)7-9(10(15)16)11(12,13)14/h2-6,9H,7H2,1H3,(H3,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide?
3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide has a molecular weight of 245.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(N-methylanilino)methyl]propanimidamide is sourced from PubChem (CID 103370527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).