3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide

C14H19FN2O — CID 107118103

IUPAC3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COC2CCCCC2)c1F
InChIInChI=1S/C14H19FN2O/c15-13-10(5-4-8-12(13)14(16)17)9-18-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H3,16,17)
InChIKeyALNTXWKMORGECB-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.96
Rot. Bonds4

About 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide

3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide (PubChem CID 107118103) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
PubChem CID107118103
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(COC2CCCCC2)c1F
InChIInChI=1S/C14H19FN2O/c15-13-10(5-4-8-12(13)14(16)17)9-18-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H3,16,17)
InChIKeyALNTXWKMORGECB-UHFFFAOYSA-N
XLogP2.96
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.96
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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Related Compounds

2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
3-[(3-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118212
2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 107118111
3-[(2-ethylcyclohexyl)oxymethyl]-2-fluorobenzenecarboximidamide
CID 107118117
3-(cyclopentyloxymethyl)-2-fluorobenzenecarbothioamide
CID 107115985
3-(cyclopropylmethoxymethyl)-2-fluorobenzenecarboximidamide
CID 107118142
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724
2-fluoro-3-(heptoxymethyl)benzenecarboximidamide
CID 107118150
2-fluoro-3-(2-methoxyethoxymethyl)benzenecarboximidamide
CID 107118124
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107117878
3-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-2-fluorobenzenecarboximidamide
CID 107117850
3-[(2-ethylazepan-1-yl)methyl]-2-fluorobenzenecarboximidamide
CID 107118005

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide?
The IUPAC name of 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide (CID 107118103) is 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide.
What is the SMILES notation for 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide?
The canonical SMILES for 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cccc(COC2CCCCC2)c1F.
What is the InChIKey of 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide?
The InChIKey is ALNTXWKMORGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-13-10(5-4-8-12(13)14(16)17)9-18-11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H3,16,17).
What are the key properties of 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide?
3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide has a molecular weight of 250.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexyloxymethyl)-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 107118103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).