4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide

C15H21ClN2O — CID 63094207

IUPAC4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1CCCCC1CC
InChIInChI=1S/C15H21ClN2O/c1-2-10-5-3-4-6-13(10)19-14-9-11(16)7-8-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H3,17,18)
InChIKeyGLCUEHNDODMCBI-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.97
Rot. Bonds4

About 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide

4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 63094207) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID63094207
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1OC1CCCCC1CC
InChIInChI=1S/C15H21ClN2O/c1-2-10-5-3-4-6-13(10)19-14-9-11(16)7-8-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H3,17,18)
InChIKeyGLCUEHNDODMCBI-UHFFFAOYSA-N
XLogP3.97
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.97
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

5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
3-(2-ethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514051
1-[5-chloro-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 63862858
4-chloro-2-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 63093879
4-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 43188248
2-butan-2-yloxy-4-chlorobenzenecarboximidamide
CID 63094735
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-propan-2-yloxybenzenecarboximidamide
CID 63094382
4-chloro-2-(oxetan-3-yloxy)benzenecarboximidamide
CID 102606531
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide (CID 63094207) is 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1OC1CCCCC1CC.
What is the InChIKey of 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is GLCUEHNDODMCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-2-10-5-3-4-6-13(10)19-14-9-11(16)7-8-12(14)15(17)18/h7-10,13H,2-6H2,1H3,(H3,17,18).
What are the key properties of 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide?
4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 280.80 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 63094207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).