2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide

C18H22N2O — CID 81269066

IUPAC2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)ccc2C(C)C)cc1C
InChIInChI=1S/C18H22N2O/c1-11(2)15-7-5-12(3)9-17(15)21-14-6-8-16(18(19)20)13(4)10-14/h5-11H,1-4H3,(H3,19,20)
InChIKeyMMPVBIWDRORXOO-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.50
Rot. Bonds4

About 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide

2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 81269066) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID81269066
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Oc2cc(C)ccc2C(C)C)cc1C
InChIInChI=1S/C18H22N2O/c1-11(2)15-7-5-12(3)9-17(15)21-14-6-8-16(18(19)20)13(4)10-14/h5-11H,1-4H3,(H3,19,20)
InChIKeyMMPVBIWDRORXOO-UHFFFAOYSA-N
XLogP4.50
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.50
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-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523806
4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
5-chloro-2-(3-methyl-4-propan-2-ylphenoxy)benzenecarboximidamide
CID 63523635
4-(3,5-dimethylphenoxy)-2-methylbenzenecarboximidamide
CID 81276388
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
CID 62308166
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarbothioamide
CID 63518585
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
2-amino-5-(5-methyl-2-propan-2-ylphenoxy)benzamide
CID 61311722
4-(2,4-dibromophenoxy)-2-methylbenzenecarboximidamide
CID 81276266
3-(3-methyl-4-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide (CID 81269066) is 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Oc2cc(C)ccc2C(C)C)cc1C.
What is the InChIKey of 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is MMPVBIWDRORXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11(2)15-7-5-12(3)9-17(15)21-14-6-8-16(18(19)20)13(4)10-14/h5-11H,1-4H3,(H3,19,20).
What are the key properties of 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide?
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 282.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 81269066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).