2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide

C15H21ClN2O2 — CID 102724526

IUPAC2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CC(C)(C)OC2(C)C)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-14(2)8-12(15(3,4)20-14)19-9-5-6-10(13(17)18)11(16)7-9/h5-7,12H,8H2,1-4H3,(H3,17,18)
InChIKeyMEXHENWJTGVMHG-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.35
Rot. Bonds3

About 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide

2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide (PubChem CID 102724526) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide
PubChem CID102724526
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC2CC(C)(C)OC2(C)C)cc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-14(2)8-12(15(3,4)20-14)19-9-5-6-10(13(17)18)11(16)7-9/h5-7,12H,8H2,1-4H3,(H3,17,18)
InChIKeyMEXHENWJTGVMHG-UHFFFAOYSA-N
XLogP3.35
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-chloro-4-cycloheptyloxybenzenecarboximidamide
CID 55154723
2-chloro-4-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide
CID 55154725
2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzoic acid
CID 107671055
2-chloro-4-(3-methylcyclohexyl)oxybenzenecarboximidamide
CID 62948386
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
(1S)-1-[4-(2,2,5,5-tetramethyloxolan-3-yl)oxyphenyl]propan-1-ol
CID 104940314
3-[4-(4-chlorobut-1-ynyl)phenoxy]-2,2,5,5-tetramethyloxolane
CID 114623605
2-chloro-4-hexoxybenzenecarboximidamide
CID 62948385
2-chloro-4-(2-methylbutoxy)benzenecarboximidamide
CID 102724610
2-chloro-4-(4-methylpentan-2-yloxy)benzenecarboximidamide
CID 62949045
4-(4-bromo-3-methylphenoxy)-2-chlorobenzenecarboximidamide
CID 83140790
2-chloro-4-(2-cyclobutylethoxy)benzenecarboximidamide
CID 106202100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide (CID 102724526) is 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC2CC(C)(C)OC2(C)C)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide?
The InChIKey is MEXHENWJTGVMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-14(2)8-12(15(3,4)20-14)19-9-5-6-10(13(17)18)11(16)7-9/h5-7,12H,8H2,1-4H3,(H3,17,18).
What are the key properties of 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide?
2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide has a molecular weight of 296.80 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,2,5,5-tetramethyloxolan-3-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 102724526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).