2-amino-1-(2,3,5-trimethylphenyl)ethanone

C11H15NO — CID 117277600

IUPAC2-amino-1-(2,3,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C)c(C(=O)CN)c1
InChIInChI=1S/C11H15NO/c1-7-4-8(2)9(3)10(5-7)11(13)6-12/h4-5H,6,12H2,1-3H3
InChIKeyALXGAIMEIOQKJL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-1-(2,3,5-trimethylphenyl)ethanone

2-amino-1-(2,3,5-trimethylphenyl)ethanone (PubChem CID 117277600) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-amino-1-(2,3,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2,3,5-trimethylphenyl)ethanone
PubChem CID117277600
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-amino-1-(2,3,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C)c(C(=O)CN)c1
InChIInChI=1S/C11H15NO/c1-7-4-8(2)9(3)10(5-7)11(13)6-12/h4-5H,6,12H2,1-3H3
InChIKeyALXGAIMEIOQKJL-UHFFFAOYSA-N
XLogP1.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2,3,5-trimethylphenyl)ethanone
CID 145375991
indium(3+);tris(2,3,5-trimethylbenzoate)
CID 22604763
2-amino-1-(2-chloro-5-methylphenyl)ethanone
CID 83696787
2-amino-1-(2-fluoro-4-methylphenyl)ethanone
CID 59233227
2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
CID 84801504
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
methyl 5-(2-aminoacetyl)-2,3-dimethylbenzoate
CID 117315602
3-amino-1-(2-bromo-3,5-dimethylphenyl)propan-1-one
CID 84805179
2-amino-1-[2-(dimethylamino)-5-methylphenyl]ethanone
CID 117283238
2-amino-1-(3-bromo-5-fluoro-2,4-dimethylphenyl)ethanone
CID 84806364
2,3,5-trimethyl-N-propylbenzamide
CID 66873398
2-amino-1-(4-chloro-2,5-dimethylphenyl)ethanone
CID 84774667

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3,5-trimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2,3,5-trimethylphenyl)ethanone (CID 117277600) is 2-amino-1-(2,3,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2,3,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2,3,5-trimethylphenyl)ethanone is Cc1cc(C)c(C)c(C(=O)CN)c1.
What is the InChIKey of 2-amino-1-(2,3,5-trimethylphenyl)ethanone?
The InChIKey is ALXGAIMEIOQKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-4-8(2)9(3)10(5-7)11(13)6-12/h4-5H,6,12H2,1-3H3.
What are the key properties of 2-amino-1-(2,3,5-trimethylphenyl)ethanone?
2-amino-1-(2,3,5-trimethylphenyl)ethanone has a molecular weight of 177.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3,5-trimethylphenyl)ethanone is sourced from PubChem (CID 117277600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).