2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide

C12H14F3N3 — CID 43265029

IUPAC2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(C)C1CC1
InChIInChI=1S/C12H14F3N3/c1-18(8-3-4-8)10-5-2-7(12(13,14)15)6-9(10)11(16)17/h2,5-6,8H,3-4H2,1H3,(H3,16,17)
InChIKeyVLZBYKZFSAMCMP-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.59
Rot. Bonds3

About 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide

2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 43265029) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID43265029
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(C)C1CC1
InChIInChI=1S/C12H14F3N3/c1-18(8-3-4-8)10-5-2-7(12(13,14)15)6-9(10)11(16)17/h2,5-6,8H,3-4H2,1H3,(H3,16,17)
InChIKeyVLZBYKZFSAMCMP-UHFFFAOYSA-N
XLogP2.59
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.59
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'}

Analyze 2-[cyclopropyl(methyl)amino]-5-(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

2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 63865694
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 82939570
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 63669170
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
5-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 62494113
N'-hydroxy-2-[methyl(thiolan-3-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43296689
5-bromo-2-[(1-ethylpiperidin-4-yl)-methylamino]benzenecarboximidamide
CID 114892967
2-[methyl(oxolan-3-yl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 82738266
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-(4-methoxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43372984

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide (CID 43265029) is 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is VLZBYKZFSAMCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-18(8-3-4-8)10-5-2-7(12(13,14)15)6-9(10)11(16)17/h2,5-6,8H,3-4H2,1H3,(H3,16,17).
What are the key properties of 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide?
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 257.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 43265029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).