2-(aminomethyl)-4,6-ditert-butylphenol

C15H25NO — CID 12652148

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

About 2-(aminomethyl)-4,6-ditert-butylphenol

2-(aminomethyl)-4,6-ditert-butylphenol (PubChem CID 12652148) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(aminomethyl)-4,6-ditert-butylphenol.

Molecular Properties

Compound Name2-(aminomethyl)-4,6-ditert-butylphenol
PubChem CID12652148
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(aminomethyl)-4,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(CN)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H25NO/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-8,17H,9,16H2,1-6H3
InChIKeyBNXTVADDZVBPLM-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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Related Compounds

2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)ethyl]phenol;fluorophosphonous acid
CID 87776014
2-(aminomethyl)-4-tert-butyl-6-methylsulfanylphenol
CID 12652152
2,6-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4-methylphenol
CID 19352850
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012
2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 24854213
2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
CID 70700395
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
CID 11792333
trisodium;2,4-ditert-butyl-6-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenol;phosphate
CID 159744208
1-N,3-N-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]propanedihydrazide
CID 139030894
3-[3-(aminomethyl)-5-tert-butyl-4-hydroxyphenyl]prop-2-ynoic acid
CID 150438969
2-[[bis[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]amino]methyl]-4,6-ditert-butylphenol;propan-2-ol;zirconium
CID 5241995
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methyl]but-2-enoic acid
CID 174910765

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,6-ditert-butylphenol?
The IUPAC name of 2-(aminomethyl)-4,6-ditert-butylphenol (CID 12652148) is 2-(aminomethyl)-4,6-ditert-butylphenol.
What is the SMILES notation for 2-(aminomethyl)-4,6-ditert-butylphenol?
The canonical SMILES for 2-(aminomethyl)-4,6-ditert-butylphenol is CC(C)(C)c1cc(CN)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(aminomethyl)-4,6-ditert-butylphenol?
The InChIKey is BNXTVADDZVBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(2,3)11-7-10(9-16)13(17)12(8-11)15(4,5)6/h7-8,17H,9,16H2,1-6H3.
What are the key properties of 2-(aminomethyl)-4,6-ditert-butylphenol?
2-(aminomethyl)-4,6-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)-4,6-ditert-butylphenol is sourced from PubChem (CID 12652148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).