2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone

C14H21NO — CID 10082173

IUPAC2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)CN
InChIInChI=1S/C14H21NO/c1-9-6-11(14(3,4)5)7-10(2)13(9)12(16)8-15/h6-7H,8,15H2,1-5H3
InChIKeyVXNOJMKITKTRLE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone

2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone (PubChem CID 10082173) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
PubChem CID10082173
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
SMILESCc1cc(C(C)(C)C)cc(C)c1C(=O)CN
InChIInChI=1S/C14H21NO/c1-9-6-11(14(3,4)5)7-10(2)13(9)12(16)8-15/h6-7H,8,15H2,1-5H3
InChIKeyVXNOJMKITKTRLE-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)-2-methylsulfanylethanone
CID 116830113
2-amino-1-(4-methoxy-2,6-dimethylphenyl)ethanone
CID 82048603
2-amino-1-(2-bromo-4,6-dimethylphenyl)ethanone
CID 84801504
2-amino-1-(3-bromo-4-hydroxy-2,6-dimethylphenyl)ethanone
CID 84709311
2-amino-1-(2-chloro-3,4-dihydroxy-6-methylphenyl)ethanone
CID 117307262
2-amino-1-(5-tert-butyl-4-hydroxy-2-methylphenyl)ethanone
CID 117316656
4-tert-butyl-2,6-dimethylbenzoyl cyanide
CID 116918980
2-amino-1-(4-bromo-2-methoxy-3,6-dimethylphenyl)ethanone
CID 82625822
2-amino-1-(4-tert-butyl-2-pyridinyl)ethanone
CID 118908276
4-tert-butyl-N-(cyanomethyl)-2,6-dimethylbenzamide
CID 82478635
4-tert-butyl-N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 82494160
2-amino-N-(4-tert-butyl-2-methylphenyl)acetamide
CID 82494146

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone (CID 10082173) is 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone is Cc1cc(C(C)(C)C)cc(C)c1C(=O)CN.
What is the InChIKey of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone?
The InChIKey is VXNOJMKITKTRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-6-11(14(3,4)5)7-10(2)13(9)12(16)8-15/h6-7H,8,15H2,1-5H3.
What are the key properties of 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone?
2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone has a molecular weight of 219.33 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-tert-butyl-2,6-dimethylphenyl)ethanone is sourced from PubChem (CID 10082173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).