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

C12H17ClN2O — CID 62494784

IUPAC5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OC(C)(C)CC
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)16-10-6-5-8(13)7-9(10)11(14)15/h5-7H,4H2,1-3H3,(H3,14,15)
InChIKeyAQDQALXUQMADCT-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.19
Rot. Bonds4

About 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide

5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide (PubChem CID 62494784) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
PubChem CID62494784
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1OC(C)(C)CC
InChIInChI=1S/C12H17ClN2O/c1-4-12(2,3)16-10-6-5-8(13)7-9(10)11(14)15/h5-7H,4H2,1-3H3,(H3,14,15)
InChIKeyAQDQALXUQMADCT-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

5-chloro-2-(2-ethoxyethoxy)benzenecarboximidamide
CID 62494463
3-methyl-4-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 60929232
5-chloro-2-(2-propoxyethoxy)benzenecarboximidamide
CID 63684928
2-chloro-6-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62497195
5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
4-chloro-2-(ethylamino)benzenecarboximidamide
CID 63094553
5-chloro-2-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 62492761
2-tert-butylsulfanyl-5-chlorobenzenecarboximidamide
CID 62494946
5-chloro-2-(2,2-difluoroethoxy)benzenecarboximidamide
CID 82004072
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
4-chloro-2-methoxybenzenecarboximidamide
CID 63093709
4-chloro-2-(ethoxymethoxy)benzenecarboximidamide
CID 114323630

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The IUPAC name of 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide (CID 62494784) is 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1OC(C)(C)CC.
What is the InChIKey of 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
The InChIKey is AQDQALXUQMADCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-4-12(2,3)16-10-6-5-8(13)7-9(10)11(14)15/h5-7H,4H2,1-3H3,(H3,14,15).
What are the key properties of 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide?
5-chloro-2-(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 5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide is sourced from PubChem (CID 62494784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).