3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide

C16H15F3N2 — CID 123861905

IUPAC3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2/c1-11-3-2-4-13(9-11)15(20)21-10-12-5-7-14(8-6-12)16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)
InChIKeyXRUGRYDEXWJFOY-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.92
Rot. Bonds3

About 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide

3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide (PubChem CID 123861905) has the molecular formula C16H15F3N2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide
PubChem CID123861905
Molecular FormulaC16H15F3N2
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide
SMILESCc1cccc(/C(N)=N/Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H15F3N2/c1-11-3-2-4-13(9-11)15(20)21-10-12-5-7-14(8-6-12)16(17,18)19/h2-9H,10H2,1H3,(H2,20,21)
InChIKeyXRUGRYDEXWJFOY-UHFFFAOYSA-N
XLogP3.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-3-phenyl-N'-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidamide
CID 9901060
(E)-N'-benzyl-3-(4-fluorophenyl)prop-2-enimidamide
CID 9921317
(E)-3-phenyl-N'-[[3-(trifluoromethyl)phenyl]methyl]prop-2-enimidamide
CID 9922486
(E)-N'-benzyl-3-(3,4-difluorophenyl)prop-2-enimidamide
CID 9943403
N-Phenethyl-benzamidine
CID 12511926
Benzamidine, N-benzyl-, hydrochloride
CID 200368
(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
N-(3,5-Dimethyl-benzyl)-4-trifluoromethyl-benzamidine
CID 44374616
4-Trifluoromethyl-N-(3-trifluoromethyl-benzyl)-benzamidine
CID 44374617
N-benzyl-4-(trifluoromethyl)benzene-1-carboximidamide
CID 44374892
N'-[12-[[amino-[4-(trifluoromethyl)phenyl]methylidene]amino]dodecyl]-4-(trifluoromethyl)benzenecarboximidamide;dihydrochloride
CID 52944106
N'-[12-[[amino-(4-methylphenyl)methylidene]amino]dodecyl]-4-methylbenzenecarboximidamide;dihydrochloride
CID 52944975

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide?
The IUPAC name of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide (CID 123861905) is 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide?
The canonical SMILES for 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide is Cc1cccc(/C(N)=N/Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide?
The InChIKey is XRUGRYDEXWJFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2/c1-11-3-2-4-13(9-11)15(20)21-10-12-5-7-14(8-6-12)16(17,18)19/h2-9H,10H2,1H3,(H2,20,21).
What are the key properties of 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide?
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide has a molecular weight of 292.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]benzenecarboximidamide is sourced from PubChem (CID 123861905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).