5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide

C15H22FN3 — CID 63669170

IUPAC5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C15H22FN3/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(16)9-13(14)15(17)18/h6-7,9-10,12H,3-5,8H2,1-2H3,(H3,17,18)
InChIKeyQDWHYMVLMFCUBT-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.12
Rot. Bonds3

About 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide

5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide (PubChem CID 63669170) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
PubChem CID63669170
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1N(C)C1CCCC(C)C1
InChIInChI=1S/C15H22FN3/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(16)9-13(14)15(17)18/h6-7,9-10,12H,3-5,8H2,1-2H3,(H3,17,18)
InChIKeyQDWHYMVLMFCUBT-UHFFFAOYSA-N
XLogP3.12
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.12
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 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]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-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-[cycloheptyl(methyl)amino]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004469
2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 63539775
2,6-dimethyl-4-[methyl-(3-methylcyclohexyl)amino]pyridine-3-carboximidamide
CID 81054741
5-bromo-N'-hydroxy-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide
CID 114892468
2-(N,4-dimethylanilino)-5-fluorobenzenecarboximidamide
CID 55234516
5-chloro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarbothioamide
CID 63520647
2-[cyclopropyl(2-hydroxyethyl)amino]-5-fluorobenzenecarboximidamide
CID 63668828
1-[2-[cyclohexyl(methyl)amino]-5-fluorophenyl]ethanone
CID 43176961
5-fluoro-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 63667982

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide (CID 63669170) is 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1N(C)C1CCCC(C)C1.
What is the InChIKey of 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
The InChIKey is QDWHYMVLMFCUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-10-4-3-5-12(8-10)19(2)14-7-6-11(16)9-13(14)15(17)18/h6-7,9-10,12H,3-5,8H2,1-2H3,(H3,17,18).
What are the key properties of 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide?
5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide has a molecular weight of 263.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[methyl-(3-methylcyclohexyl)amino]benzenecarboximidamide is sourced from PubChem (CID 63669170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).