5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide

C15H21FN2O — CID 55171561

IUPAC5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC1CCC(C)CC1
InChIInChI=1S/C15H21FN2O/c1-10-2-6-13(7-3-10)19-9-11-4-5-12(16)8-14(11)15(17)18/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H3,17,18)
InChIKeyJZMCNHUMHYIEOB-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.21
Rot. Bonds4

About 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide

5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide (PubChem CID 55171561) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
PubChem CID55171561
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC1CCC(C)CC1
InChIInChI=1S/C15H21FN2O/c1-10-2-6-13(7-3-10)19-9-11-4-5-12(16)8-14(11)15(17)18/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H3,17,18)
InChIKeyJZMCNHUMHYIEOB-UHFFFAOYSA-N
XLogP3.21
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.21
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide (CID 55171561) is 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COC1CCC(C)CC1.
What is the InChIKey of 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The InChIKey is JZMCNHUMHYIEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-2-6-13(7-3-10)19-9-11-4-5-12(16)8-14(11)15(17)18/h4-5,8,10,13H,2-3,6-7,9H2,1H3,(H3,17,18).
What are the key properties of 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide has a molecular weight of 264.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 55171561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).