2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide

C18H22N2O — CID 107930737

IUPAC2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-12-5-10-16(15(11-12)17(19)20)21-14-8-6-13(7-9-14)18(2,3)4/h5-11H,1-4H3,(H3,19,20)
InChIKeyYAQUSIIGWUOXIF-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.37
Rot. Bonds3

About 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide

2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide (PubChem CID 107930737) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
PubChem CID107930737
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C)ccc1Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O/c1-12-5-10-16(15(11-12)17(19)20)21-14-8-6-13(7-9-14)18(2,3)4/h5-11H,1-4H3,(H3,19,20)
InChIKeyYAQUSIIGWUOXIF-UHFFFAOYSA-N
XLogP4.37
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.37
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-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
2-(4-tert-butylphenoxy)-4-chlorobenzenecarboximidamide
CID 63523810
2-(3-chloro-4-fluorophenoxy)-5-methylbenzenecarboximidamide
CID 107930831
2-(2-bromo-4-methoxyphenoxy)-5-methylbenzenecarboximidamide
CID 107930880
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
2-(2-fluoro-5-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930844
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzenecarboximidamide
CID 107930884
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853
2-(5-chloro-2-methylphenoxy)-5-methylbenzenecarboximidamide
CID 107930851

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide (CID 107930737) is 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide is [H]/N=C(\N)c1cc(C)ccc1Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide?
The InChIKey is YAQUSIIGWUOXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-10-16(15(11-12)17(19)20)21-14-8-6-13(7-9-14)18(2,3)4/h5-11H,1-4H3,(H3,19,20).
What are the key properties of 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide?
2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide has a molecular weight of 282.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-5-methylbenzenecarboximidamide is sourced from PubChem (CID 107930737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).