5-amino-2,3-ditert-butylphenol

C14H23NO — CID 126738766

IUPAC5-amino-2,3-ditert-butylphenol
SMILESCC(C)(C)c1cc(N)cc(O)c1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-13(2,3)10-7-9(15)8-11(16)12(10)14(4,5)6/h7-8,16H,15H2,1-6H3
InChIKeyVKZIUIOFYZGAJG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.57
Rot. Bonds

About 5-amino-2,3-ditert-butylphenol

5-amino-2,3-ditert-butylphenol (PubChem CID 126738766) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-amino-2,3-ditert-butylphenol.

Molecular Properties

Compound Name5-amino-2,3-ditert-butylphenol
PubChem CID126738766
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-amino-2,3-ditert-butylphenol
SMILESCC(C)(C)c1cc(N)cc(O)c1C(C)(C)C
InChIInChI=1S/C14H23NO/c1-13(2,3)10-7-9(15)8-11(16)12(10)14(4,5)6/h7-8,16H,15H2,1-6H3
InChIKeyVKZIUIOFYZGAJG-UHFFFAOYSA-N
XLogP3.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,5-ditert-butylbenzene-1,4-diol
CID 86244244
1,2,3,5-tetratert-butylbenzene
CID 18679123
2,3,4-tritert-butyl-6-hydroxybenzenesulfonic acid
CID 54026851
2,5-diaminobenzene-1,3-diol;dihydrochloride
CID 19920045
4-(4-aminophenoxy)-2-tert-butylphenol
CID 59364702
2-tert-butyl-3,5-difluorophenol
CID 118328413
5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol
CID 130001728
4,5-ditert-butyl-2,3-dihydroxybenzaldehyde
CID 171118062
5-amino-4-tert-butyl-2-prop-1-en-2-ylphenol
CID 70143761
4-tert-butyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine
CID 167114083
4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine
CID 172514436
2-(3-aminopropyl)-3,5-ditert-butylbenzene-1,4-diol
CID 71488404

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-ditert-butylphenol?
The IUPAC name of 5-amino-2,3-ditert-butylphenol (CID 126738766) is 5-amino-2,3-ditert-butylphenol.
What is the SMILES notation for 5-amino-2,3-ditert-butylphenol?
The canonical SMILES for 5-amino-2,3-ditert-butylphenol is CC(C)(C)c1cc(N)cc(O)c1C(C)(C)C.
What is the InChIKey of 5-amino-2,3-ditert-butylphenol?
The InChIKey is VKZIUIOFYZGAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-13(2,3)10-7-9(15)8-11(16)12(10)14(4,5)6/h7-8,16H,15H2,1-6H3.
What are the key properties of 5-amino-2,3-ditert-butylphenol?
5-amino-2,3-ditert-butylphenol has a molecular weight of 221.34 g/mol, XLogP of 3.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-ditert-butylphenol is sourced from PubChem (CID 126738766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).