2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide

C12H17ClN2O — CID 62497195

IUPAC2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OC(C)(C)CC
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)16-9-7-5-6-8(13)10(9)11(14)15/h5-7H,4H2,1-3H3,(H3,14,15)
InChIKeyCKOKPLZTXGSVMA-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.19
Rot. Bonds4

About 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide

2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide (PubChem CID 62497195) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
PubChem CID62497195
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1OC(C)(C)CC
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)16-9-7-5-6-8(13)10(9)11(14)15/h5-7H,4H2,1-3H3,(H3,14,15)
InChIKeyCKOKPLZTXGSVMA-UHFFFAOYSA-N
XLogP3.19
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.19
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

2-chloro-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 112587805
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784
2-chloro-6-(2-ethylsulfonylethoxy)benzenecarboximidamide
CID 113277394
2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 103174833
2-chloro-6-(2,6-dimethoxyphenoxy)benzenecarboximidamide
CID 62496011
2-chloro-6-phenoxybenzenecarboximidamide
CID 53416807
2-chloro-6-(3-fluoropropoxy)benzenecarboximidamide
CID 114323524
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-(3,5-dichlorophenoxy)benzenecarboximidamide
CID 63524494
2-chloro-6-[2,2-dimethylpropyl(methyl)amino]benzenecarboximidamide
CID 55079559
2-chloro-6-(3-methylphenoxy)benzenecarboximidamide
CID 62496843
2-chloro-6-(4-chloro-2,6-dimethylphenoxy)benzenecarboximidamide
CID 63525012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The IUPAC name of 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide (CID 62497195) is 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1OC(C)(C)CC.
What is the InChIKey of 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The InChIKey is CKOKPLZTXGSVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-12(2,3)16-9-7-5-6-8(13)10(9)11(14)15/h5-7H,4H2,1-3H3,(H3,14,15).
What are the key properties of 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide?
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide has a molecular weight of 240.73 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 62497195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).