2-(aminomethyl)-3,5-ditert-butylphenol

C15H25NO — CID 10354063

IUPAC2-(aminomethyl)-3,5-ditert-butylphenol
SMILESCC(C)(C)c1cc(O)c(CN)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3
InChIKeyZUSLEOOZAITYGH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds1

About 2-(aminomethyl)-3,5-ditert-butylphenol

2-(aminomethyl)-3,5-ditert-butylphenol (PubChem CID 10354063) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(aminomethyl)-3,5-ditert-butylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-3,5-ditert-butylphenol
PubChem CID10354063
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(aminomethyl)-3,5-ditert-butylphenol
SMILESCC(C)(C)c1cc(O)c(CN)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3
InChIKeyZUSLEOOZAITYGH-UHFFFAOYSA-N
XLogP3.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3,5-ditert-butylphenol?
The IUPAC name of 2-(aminomethyl)-3,5-ditert-butylphenol (CID 10354063) is 2-(aminomethyl)-3,5-ditert-butylphenol.
What is the SMILES notation for 2-(aminomethyl)-3,5-ditert-butylphenol?
The canonical SMILES for 2-(aminomethyl)-3,5-ditert-butylphenol is CC(C)(C)c1cc(O)c(CN)c(C(C)(C)C)c1.
What is the InChIKey of 2-(aminomethyl)-3,5-ditert-butylphenol?
The InChIKey is ZUSLEOOZAITYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3.
What are the key properties of 2-(aminomethyl)-3,5-ditert-butylphenol?
2-(aminomethyl)-3,5-ditert-butylphenol has a molecular weight of 235.37 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3,5-ditert-butylphenol is sourced from PubChem (CID 10354063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).