4-(4-aminophenoxy)-2-tert-butylphenol

C16H19NO2 — CID 59364702

IUPAC4-(4-aminophenoxy)-2-tert-butylphenol
SMILESCC(C)(C)c1cc(Oc2ccc(N)cc2)ccc1O
InChIInChI=1S/C16H19NO2/c1-16(2,3)14-10-13(8-9-15(14)18)19-12-6-4-11(17)5-7-12/h4-10,18H,17H2,1-3H3
InChIKeyWFEWNRQIGUXZDN-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.06
Rot. Bonds2

About 4-(4-aminophenoxy)-2-tert-butylphenol

4-(4-aminophenoxy)-2-tert-butylphenol (PubChem CID 59364702) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-2-tert-butylphenol.

Molecular Properties

Compound Name4-(4-aminophenoxy)-2-tert-butylphenol
PubChem CID59364702
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-(4-aminophenoxy)-2-tert-butylphenol
SMILESCC(C)(C)c1cc(Oc2ccc(N)cc2)ccc1O
InChIInChI=1S/C16H19NO2/c1-16(2,3)14-10-13(8-9-15(14)18)19-12-6-4-11(17)5-7-12/h4-10,18H,17H2,1-3H3
InChIKeyWFEWNRQIGUXZDN-UHFFFAOYSA-N
XLogP4.06
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
2-tert-butyl-4-(4-ethoxyphenoxy)phenol
CID 21466161
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
4-(4-aminophenoxy)benzene-1,2-diol;3,4-dihydroxybenzoic acid
CID 69010331
(3-tert-butyl-4-hydroxyphenyl) dihydrogen phosphite
CID 175040177
(3-tert-butyl-4-hydroxyphenyl) 4-amino-2-chlorobenzoate
CID 122188985
4-(4-aminophenoxy)aniline
CID 161415647
5-(4-aminophenoxy)-2-chlorophenol
CID 129011714
2-tert-butyl-4-(2-hydroxyethoxy)phenol
CID 18353567
2-tert-butyl-4-propan-2-ylphenol
CID 24240
4-[6-(4-aminophenoxy)naphthalen-2-yl]oxyaniline
CID 21253702
2-tert-butyl-4-tri(propan-2-yl)silyloxyphenol
CID 14974322

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-2-tert-butylphenol?
The IUPAC name of 4-(4-aminophenoxy)-2-tert-butylphenol (CID 59364702) is 4-(4-aminophenoxy)-2-tert-butylphenol.
What is the SMILES notation for 4-(4-aminophenoxy)-2-tert-butylphenol?
The canonical SMILES for 4-(4-aminophenoxy)-2-tert-butylphenol is CC(C)(C)c1cc(Oc2ccc(N)cc2)ccc1O.
What is the InChIKey of 4-(4-aminophenoxy)-2-tert-butylphenol?
The InChIKey is WFEWNRQIGUXZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-16(2,3)14-10-13(8-9-15(14)18)19-12-6-4-11(17)5-7-12/h4-10,18H,17H2,1-3H3.
What are the key properties of 4-(4-aminophenoxy)-2-tert-butylphenol?
4-(4-aminophenoxy)-2-tert-butylphenol has a molecular weight of 257.33 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-2-tert-butylphenol is sourced from PubChem (CID 59364702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).