2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide

C14H19ClN2O — CID 62948386

IUPAC2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCC(C)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9-3-2-4-10(7-9)18-11-5-6-12(14(16)17)13(15)8-11/h5-6,8-10H,2-4,7H2,1H3,(H3,16,17)
InChIKeyLUCFXONCEUWWGB-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide

2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 62948386) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID62948386
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CCCC(C)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-9-3-2-4-10(7-9)18-11-5-6-12(14(16)17)13(15)8-11/h5-6,8-10H,2-4,7H2,1H3,(H3,16,17)
InChIKeyLUCFXONCEUWWGB-UHFFFAOYSA-N
XLogP3.58
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.58
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 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide (CID 62948386) is 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC2CCCC(C)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is LUCFXONCEUWWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9-3-2-4-10(7-9)18-11-5-6-12(14(16)17)13(15)8-11/h5-6,8-10H,2-4,7H2,1H3,(H3,16,17).
What are the key properties of 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide?
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 266.77 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 62948386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).