3-(4-tert-butyl-2-methylphenoxy)butanimidamide

C15H24N2O — CID 114997400

IUPAC3-(4-tert-butyl-2-methylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-10-8-12(15(3,4)5)6-7-13(10)18-11(2)9-14(16)17/h6-8,11H,9H2,1-5H3,(H3,16,17)
InChIKeyWDBRQQNTQJWOTN-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.39
Rot. Bonds4

About 3-(4-tert-butyl-2-methylphenoxy)butanimidamide

3-(4-tert-butyl-2-methylphenoxy)butanimidamide (PubChem CID 114997400) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-methylphenoxy)butanimidamide.

Molecular Properties

Compound Name3-(4-tert-butyl-2-methylphenoxy)butanimidamide
PubChem CID114997400
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(4-tert-butyl-2-methylphenoxy)butanimidamide
SMILES[H]/N=C(\N)CC(C)Oc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C15H24N2O/c1-10-8-12(15(3,4)5)6-7-13(10)18-11(2)9-14(16)17/h6-8,11H,9H2,1-5H3,(H3,16,17)
InChIKeyWDBRQQNTQJWOTN-UHFFFAOYSA-N
XLogP3.39
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.39
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-methylphenoxy)butanimidamide?
The IUPAC name of 3-(4-tert-butyl-2-methylphenoxy)butanimidamide (CID 114997400) is 3-(4-tert-butyl-2-methylphenoxy)butanimidamide.
What is the SMILES notation for 3-(4-tert-butyl-2-methylphenoxy)butanimidamide?
The canonical SMILES for 3-(4-tert-butyl-2-methylphenoxy)butanimidamide is [H]/N=C(\N)CC(C)Oc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 3-(4-tert-butyl-2-methylphenoxy)butanimidamide?
The InChIKey is WDBRQQNTQJWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10-8-12(15(3,4)5)6-7-13(10)18-11(2)9-14(16)17/h6-8,11H,9H2,1-5H3,(H3,16,17).
What are the key properties of 3-(4-tert-butyl-2-methylphenoxy)butanimidamide?
3-(4-tert-butyl-2-methylphenoxy)butanimidamide has a molecular weight of 248.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-methylphenoxy)butanimidamide is sourced from PubChem (CID 114997400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).