1-(2-amino-5-tert-butylphenyl)ethanone

C12H17NO — CID 83988010

IUPAC1-(2-amino-5-tert-butylphenyl)ethanone
SMILESCC(=O)c1cc(C(C)(C)C)ccc1N
InChIInChI=1S/C12H17NO/c1-8(14)10-7-9(12(2,3)4)5-6-11(10)13/h5-7H,13H2,1-4H3
InChIKeyJNBAIPBJSKSQBY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.77
Rot. Bonds1

About 1-(2-amino-5-tert-butylphenyl)ethanone

1-(2-amino-5-tert-butylphenyl)ethanone (PubChem CID 83988010) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2-amino-5-tert-butylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-tert-butylphenyl)ethanone
PubChem CID83988010
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2-amino-5-tert-butylphenyl)ethanone
SMILESCC(=O)c1cc(C(C)(C)C)ccc1N
InChIInChI=1S/C12H17NO/c1-8(14)10-7-9(12(2,3)4)5-6-11(10)13/h5-7H,13H2,1-4H3
InChIKeyJNBAIPBJSKSQBY-UHFFFAOYSA-N
XLogP2.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-amino-5-tert-butylphenyl)ethane-1,2-dione
CID 141464384
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
1-(2-amino-5-tert-butylphenyl)-2-phenylethanone
CID 83988014
1-[5-[(3-acetyl-4-aminophenyl)diazenyl]-2-aminophenyl]ethanone
CID 134604009
1-(3-acetyl-5-tert-butyl-2-hydroxyphenyl)ethanone
CID 71295421
1-[2-amino-5-[2,2-dimethylpropyl(methyl)amino]phenyl]ethanone
CID 113433012
1-[2-amino-5-(2,2,2-trifluoroethyl)phenyl]ethanone
CID 137434412
1-(2,4,5-triaminophenyl)ethanone
CID 163413679
2-amino-N-(4-tert-butylphenyl)-5-methylbenzamide
CID 62059196
2-acetamido-5-tert-butylbenzoic acid
CID 42560637
1-(2-amino-4-tert-butylphenyl)propan-1-one
CID 23265761
S-(2-amino-4-tert-butylphenyl) ethanethioate
CID 87886227

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-tert-butylphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-tert-butylphenyl)ethanone (CID 83988010) is 1-(2-amino-5-tert-butylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-tert-butylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-tert-butylphenyl)ethanone is CC(=O)c1cc(C(C)(C)C)ccc1N.
What is the InChIKey of 1-(2-amino-5-tert-butylphenyl)ethanone?
The InChIKey is JNBAIPBJSKSQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(14)10-7-9(12(2,3)4)5-6-11(10)13/h5-7H,13H2,1-4H3.
What are the key properties of 1-(2-amino-5-tert-butylphenyl)ethanone?
1-(2-amino-5-tert-butylphenyl)ethanone has a molecular weight of 191.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-tert-butylphenyl)ethanone is sourced from PubChem (CID 83988010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).