N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide

C14H20FN3O — CID 62921240

IUPACN-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(=N/C2CCCCC2)NN)cc1F
InChIInChI=1S/C14H20FN3O/c1-19-13-8-7-10(9-12(13)15)14(18-16)17-11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H,17,18)
InChIKeyMCNLUHSIKFCMFA-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.38
Rot. Bonds3

About N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide

N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide (PubChem CID 62921240) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide
PubChem CID62921240
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC NameN-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide
SMILESCOc1ccc(/C(=N/C2CCCCC2)NN)cc1F
InChIInChI=1S/C14H20FN3O/c1-19-13-8-7-10(9-12(13)15)14(18-16)17-11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H,17,18)
InChIKeyMCNLUHSIKFCMFA-UHFFFAOYSA-N
XLogP2.38
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide 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-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide (CID 62921240) is N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide is COc1ccc(/C(=N/C2CCCCC2)NN)cc1F.
What is the InChIKey of N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide?
The InChIKey is MCNLUHSIKFCMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-19-13-8-7-10(9-12(13)15)14(18-16)17-11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H,17,18).
What are the key properties of N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide?
N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide has a molecular weight of 265.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-3-fluoro-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 62921240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).