4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide

C17H20N2O — CID 62308166

IUPAC4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C17H20N2O/c1-11(2)13-5-4-6-14(10-13)20-16-9-12(3)7-8-15(16)17(18)19/h4-11H,1-3H3,(H3,18,19)
InChIKeyXAUXVIMSLOUVTL-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.19
Rot. Bonds4

About 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide

4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide (PubChem CID 62308166) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
PubChem CID62308166
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C17H20N2O/c1-11(2)13-5-4-6-14(10-13)20-16-9-12(3)7-8-15(16)17(18)19/h4-11H,1-3H3,(H3,18,19)
InChIKeyXAUXVIMSLOUVTL-UHFFFAOYSA-N
XLogP4.19
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.19
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

4-methyl-2-(4-methylphenoxy)benzenecarboximidamide
CID 62308678
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
2-methyl-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 81269066
2-(4-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 62308673
3-(3-propan-2-ylphenoxy)pyridazine-4-carboximidamide
CID 80514169
2-(4-ethoxyphenoxy)-4-methylbenzenecarboximidamide
CID 62307304
2-chloro-4-(5-methyl-2-propan-2-ylphenoxy)benzenecarboximidamide
CID 63526218
2-(2,3-dichlorophenoxy)-4-methylbenzenecarboximidamide
CID 55057065
2-(3-chlorophenoxy)-5-methylbenzenecarboximidamide
CID 107930685
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
4-(3-propan-2-ylphenoxy)pyridine-2-carboximidamide
CID 62926157
4-methoxy-2-(4-methylphenoxy)benzenecarboximidamide
CID 81302853

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide?
The IUPAC name of 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide (CID 62308166) is 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide.
What is the SMILES notation for 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide?
The canonical SMILES for 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1Oc1cccc(C(C)C)c1.
What is the InChIKey of 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide?
The InChIKey is XAUXVIMSLOUVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11(2)13-5-4-6-14(10-13)20-16-9-12(3)7-8-15(16)17(18)19/h4-11H,1-3H3,(H3,18,19).
What are the key properties of 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide?
4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide has a molecular weight of 268.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propan-2-ylphenoxy)benzenecarboximidamide is sourced from PubChem (CID 62308166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).