2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one

C13H19NO2 — CID 116920632

IUPAC2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)C(N)CO)c1C
InChIInChI=1S/C13H19NO2/c1-7-5-8(2)10(4)12(9(7)3)13(16)11(14)6-15/h5,11,15H,6,14H2,1-4H3
InChIKeySLIHTYJUKLTNLL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.42
Rot. Bonds3

About 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one

2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one (PubChem CID 116920632) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
PubChem CID116920632
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
SMILESCc1cc(C)c(C)c(C(=O)C(N)CO)c1C
InChIInChI=1S/C13H19NO2/c1-7-5-8(2)10(4)12(9(7)3)13(16)11(14)6-15/h5,11,15H,6,14H2,1-4H3
InChIKeySLIHTYJUKLTNLL-UHFFFAOYSA-N
XLogP1.42
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one 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-(hydroxymethyl)-3-methyl-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 116923293
3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one
CID 82283322
3-amino-1-(2,3,5,6-tetramethylphenyl)butan-1-one
CID 116915587
2-methyl-3-oxo-3-(2,3,5,6-tetramethylphenyl)propanoic acid
CID 116918196
3-(2-hydroxyethylamino)-4-oxo-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 82322789
methyl 2-chloro-3-oxo-3-(2,3,5,6-tetramethylphenyl)propanoate
CID 82487737
2-amino-1-(5-tert-butyl-2-methylphenyl)-3-hydroxypropan-1-one
CID 116920619
3-methyl-2-(2,3,5,6-tetramethylbenzoyl)butanenitrile
CID 116923772
2-amino-3-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]propanamide
CID 115179983
cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
CID 22604739
4-amino-2,2-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 65298192
N-methyl-2-(2,3,5,6-tetramethylphenoxy)acetamide
CID 894749

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The IUPAC name of 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one (CID 116920632) is 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one.
What is the SMILES notation for 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The canonical SMILES for 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one is Cc1cc(C)c(C)c(C(=O)C(N)CO)c1C.
What is the InChIKey of 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
The InChIKey is SLIHTYJUKLTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-7-5-8(2)10(4)12(9(7)3)13(16)11(14)6-15/h5,11,15H,6,14H2,1-4H3.
What are the key properties of 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one?
2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-1-(2,3,5,6-tetramethylphenyl)propan-1-one is sourced from PubChem (CID 116920632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).