4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide

C15H21FN2O — CID 43658441

IUPAC4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCCC2CC)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(15(17)18)9-12(14)16/h7-10,13H,2-6H2,1H3,(H3,17,18)
InChIKeyGIUMNTMQXUXBEQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.46
Rot. Bonds4

About 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide

4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide (PubChem CID 43658441) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
PubChem CID43658441
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCCC2CC)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(15(17)18)9-12(14)16/h7-10,13H,2-6H2,1H3,(H3,17,18)
InChIKeyGIUMNTMQXUXBEQ-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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

4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 43188248
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 63094207
4-(cyclohexylmethoxy)-3-fluorobenzenecarboximidamide
CID 62383562
3-(2-ethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514051
4-[2-[cyclopropyl(methyl)amino]ethoxy]-3-fluorobenzenecarboximidamide
CID 102740175
4-(cyclopentylamino)-3-fluorobenzenecarboximidamide;hydrochloride
CID 82253246
3-fluoro-4-(2-methylpropoxy)benzenecarboximidamide;hydrochloride
CID 82253205
3-fluoro-4-(4-methoxyphenoxy)benzenecarboximidamide;hydrochloride
CID 82240746
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
4-(2-ethylcyclohexyl)oxy-3-methoxybenzoic acid
CID 63862114
4-(cyclopentylmethoxymethyl)-3-fluorobenzenecarboximidamide
CID 66321784

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide (CID 43658441) is 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC2CCCCC2CC)c(F)c1.
What is the InChIKey of 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide?
The InChIKey is GIUMNTMQXUXBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-2-10-5-3-4-6-13(10)19-14-8-7-11(15(17)18)9-12(14)16/h7-10,13H,2-6H2,1H3,(H3,17,18).
What are the key properties of 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide?
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide has a molecular weight of 264.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 43658441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).