2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol

C13H20ClNO — CID 117356716

IUPAC2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
SMILESCC(C)(C)c1cc(Cl)cc(C(C)(C)N)c1O
InChIInChI=1S/C13H20ClNO/c1-12(2,3)9-6-8(14)7-10(11(9)16)13(4,5)15/h6-7,16H,15H2,1-5H3
InChIKeyJZGISSPESUJYQY-UHFFFAOYSA-N
MW241.76 g/mol
LogP3.54
Rot. Bonds1

About 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol

2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol (PubChem CID 117356716) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
PubChem CID117356716
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol
SMILESCC(C)(C)c1cc(Cl)cc(C(C)(C)N)c1O
InChIInChI=1S/C13H20ClNO/c1-12(2,3)9-6-8(14)7-10(11(9)16)13(4,5)15/h6-7,16H,15H2,1-5H3
InChIKeyJZGISSPESUJYQY-UHFFFAOYSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 53.54
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-tert-butyl-4-chloro-6-(1-hydroxyethyl)phenol
CID 84692297
2-(2-aminopropan-2-yl)-6-chloro-4-propan-2-ylphenol
CID 117327992
2-[1-(aminomethyl)cyclopentyl]-6-tert-butyl-4-chlorophenol
CID 117452788
2-[1-(aminomethyl)cyclobutyl]-6-tert-butyl-4-chlorophenol
CID 117423583
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
3-(3-tert-butyl-5-chloro-2-hydroxyphenyl)propanoic acid
CID 117395317
2-[(2R)-2-aminobut-3-en-2-yl]-4,6-dichlorophenol
CID 130605702
2,6-ditert-butyl-4-(2,6-dimethylphenyl)phenol
CID 100914371
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol (CID 117356716) is 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol is CC(C)(C)c1cc(Cl)cc(C(C)(C)N)c1O.
What is the InChIKey of 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol?
The InChIKey is JZGISSPESUJYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-12(2,3)9-6-8(14)7-10(11(9)16)13(4,5)15/h6-7,16H,15H2,1-5H3.
What are the key properties of 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol?
2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol has a molecular weight of 241.76 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-6-tert-butyl-4-chlorophenol is sourced from PubChem (CID 117356716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).