3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one

C15H23NO — CID 116915472

IUPAC3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one
SMILESCc1ccc(C(C)(C)C)cc1C(=O)C(C)CN
InChIInChI=1S/C15H23NO/c1-10-6-7-12(15(3,4)5)8-13(10)14(17)11(2)9-16/h6-8,11H,9,16H2,1-5H3
InChIKeyFSPOPIFXQSSGIH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.07
Rot. Bonds3

About 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one

3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one (PubChem CID 116915472) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one
PubChem CID116915472
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one
SMILESCc1ccc(C(C)(C)C)cc1C(=O)C(C)CN
InChIInChI=1S/C15H23NO/c1-10-6-7-12(15(3,4)5)8-13(10)14(17)11(2)9-16/h6-8,11H,9,16H2,1-5H3
InChIKeyFSPOPIFXQSSGIH-UHFFFAOYSA-N
XLogP3.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one (CID 116915472) is 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one is Cc1ccc(C(C)(C)C)cc1C(=O)C(C)CN.
What is the InChIKey of 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one?
The InChIKey is FSPOPIFXQSSGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-6-7-12(15(3,4)5)8-13(10)14(17)11(2)9-16/h6-8,11H,9,16H2,1-5H3.
What are the key properties of 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one?
3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-tert-butyl-2-methylphenyl)-2-methylpropan-1-one is sourced from PubChem (CID 116915472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).