4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide

C17H19FN2 — CID 153326160

IUPAC4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H19FN2/c1-11-9-16(17(19)20-3)12(2)8-14(11)10-13-4-6-15(18)7-5-13/h4-9H,10H2,1-3H3,(H2,19,20)
InChIKeyXOUUPWGKXGDEBI-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.37
Rot. Bonds3

About 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide

4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide (PubChem CID 153326160) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide
PubChem CID153326160
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide
SMILESC/N=C(\N)c1cc(C)c(Cc2ccc(F)cc2)cc1C
InChIInChI=1S/C17H19FN2/c1-11-9-16(17(19)20-3)12(2)8-14(11)10-13-4-6-15(18)7-5-13/h4-9H,10H2,1-3H3,(H2,19,20)
InChIKeyXOUUPWGKXGDEBI-UHFFFAOYSA-N
XLogP3.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.37
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'}

Analyze 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide 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 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide (CID 153326160) is 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide is C/N=C(\N)c1cc(C)c(Cc2ccc(F)cc2)cc1C.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide?
The InChIKey is XOUUPWGKXGDEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-11-9-16(17(19)20-3)12(2)8-14(11)10-13-4-6-15(18)7-5-13/h4-9H,10H2,1-3H3,(H2,19,20).
What are the key properties of 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide?
4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide has a molecular weight of 270.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-N',2,5-trimethylbenzenecarboximidamide is sourced from PubChem (CID 153326160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).