2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide

C15H21FN2O — CID 107118111

IUPAC2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COC2CCCCC2C)c1F
InChIInChI=1S/C15H21FN2O/c1-10-5-2-3-8-13(10)19-9-11-6-4-7-12(14(11)16)15(17)18/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H3,17,18)
InChIKeyFAEITCGHVHPKOT-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.21
Rot. Bonds4

About 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide

2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide (PubChem CID 107118111) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
PubChem CID107118111
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COC2CCCCC2C)c1F
InChIInChI=1S/C15H21FN2O/c1-10-5-2-3-8-13(10)19-9-11-6-4-7-12(14(11)16)15(17)18/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H3,17,18)
InChIKeyFAEITCGHVHPKOT-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'}

Analyze 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]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

3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118117
3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
CID 107118103
3-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118212
3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
CID 107118142
3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarbothioamide
CID 107116003
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 107118124
2-fluoro-3-(heptoxymethyl)benzenecarboximidamide
CID 107118150
3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005
2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarbothioamide
CID 63293075
5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide
CID 63667480

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide (CID 107118111) is 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(COC2CCCCC2C)c1F.
What is the InChIKey of 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The InChIKey is FAEITCGHVHPKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-5-2-3-8-13(10)19-9-11-6-4-7-12(14(11)16)15(17)18/h4,6-7,10,13H,2-3,5,8-9H2,1H3,(H3,17,18).
What are the key properties of 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
2-fluoro-3-[(2-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 2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 107118111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).