2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone

C13H19NO2 — CID 117316656

IUPAC2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
SMILESCc1cc(O)c(C(C)(C)C)cc1C(=O)CN
InChIInChI=1S/C13H19NO2/c1-8-5-11(15)10(13(2,3)4)6-9(8)12(16)7-14/h5-6,15H,7,14H2,1-4H3
InChIKeyLRUJYUWGAYQUES-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds2

About 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone

2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone (PubChem CID 117316656) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
PubChem CID117316656
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
SMILESCc1cc(O)c(C(C)(C)C)cc1C(=O)CN
InChIInChI=1S/C13H19NO2/c1-8-5-11(15)10(13(2,3)4)6-9(8)12(16)7-14/h5-6,15H,7,14H2,1-4H3
InChIKeyLRUJYUWGAYQUES-UHFFFAOYSA-N
XLogP2.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-5-methylphenol
CID 10346
2-amino-1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
CID 84669092
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
CID 10082173
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
4-[(E)-3-aminoprop-1-enyl]-2-tert-butyl-5-methylphenol
CID 117313202
2-amino-1-[5-(2-aminoacetyl)-2,4-dihydroxyphenyl]ethanone
CID 170860296
4-[1-(aminomethyl)cyclopropyl]-2-tert-butyl-5-methylphenol
CID 117339002
2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
CID 117318695
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone (CID 117316656) is 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone is Cc1cc(O)c(C(C)(C)C)cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone?
The InChIKey is LRUJYUWGAYQUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8-5-11(15)10(13(2,3)4)6-9(8)12(16)7-14/h5-6,15H,7,14H2,1-4H3.
What are the key properties of 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone?
2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone has a molecular weight of 221.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone is sourced from PubChem (CID 117316656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).