2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide

C15H21ClN2O — CID 64744981

IUPAC2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C15H21ClN2O/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(16)14(13)15(17)18/h3-5,9-11H,6-8H2,1-2H3,(H3,17,18)
InChIKeyTZONCERDLYPAKK-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.83
Rot. Bonds3

About 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide

2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 64744981) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide
PubChem CID64744981
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OC1CCC(C)C(C)C1
InChIInChI=1S/C15H21ClN2O/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(16)14(13)15(17)18/h3-5,9-11H,6-8H2,1-2H3,(H3,17,18)
InChIKeyTZONCERDLYPAKK-UHFFFAOYSA-N
XLogP3.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.83
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-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide (CID 64744981) is 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OC1CCC(C)C(C)C1.
What is the InChIKey of 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is TZONCERDLYPAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-9-6-7-11(8-10(9)2)19-13-5-3-4-12(16)14(13)15(17)18/h3-5,9-11H,6-8H2,1-2H3,(H3,17,18).
What are the key properties of 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide?
2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 280.80 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3,4-dimethylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 64744981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).