N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide

C11H13FN2 — CID 63178403

IUPACN'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide
SMILESCC1=CC(=C(C=C1)N=C(C2CC2)N)F
InChIInChI=1S/C11H13FN2/c1-7-2-5-10(9(12)6-7)14-11(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,13,14)
InChIKeySKBIBBYTLFQLHJ-UHFFFAOYSA-N
MW192.23 g/mol
LogP1.90
Rot. Bonds2

About N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide

N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide (PubChem CID 63178403) has the molecular formula C11H13FN2 and a molecular weight of 192.23 g/mol. Its IUPAC name is N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide
PubChem CID63178403
Molecular FormulaC11H13FN2
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC NameN'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide
SMILESCC1=CC(=C(C=C1)N=C(C2CC2)N)F
InChIInChI=1S/C11H13FN2/c1-7-2-5-10(9(12)6-7)14-11(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,13,14)
InChIKeySKBIBBYTLFQLHJ-UHFFFAOYSA-N
XLogP1.90
TPSA38.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity235

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide (CID 63178403) is N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide is CC1=CC(=C(C=C1)N=C(C2CC2)N)F.
What is the InChIKey of N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide?
The InChIKey is SKBIBBYTLFQLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-7-2-5-10(9(12)6-7)14-11(13)8-3-4-8/h2,5-6,8H,3-4H2,1H3,(H2,13,14).
What are the key properties of N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide?
N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide has a molecular weight of 192.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluoro-4-methylphenyl)cyclopropanecarboximidamide is sourced from PubChem (CID 63178403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).