2-amino-1-phenylbutan-1-one

C10H13NO — CID 12764930

IUPAC2-amino-1-phenylbutan-1-one
SMILESCCC(N)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3
InChIKeySHBYDSJVZCGXOZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-1-phenylbutan-1-one

2-amino-1-phenylbutan-1-one (PubChem CID 12764930) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-amino-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-phenylbutan-1-one
PubChem CID12764930
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-amino-1-phenylbutan-1-one
SMILESCCC(N)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3
InChIKeySHBYDSJVZCGXOZ-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylbutan-1-one?
The IUPAC name of 2-amino-1-phenylbutan-1-one (CID 12764930) is 2-amino-1-phenylbutan-1-one.
What is the SMILES notation for 2-amino-1-phenylbutan-1-one?
The canonical SMILES for 2-amino-1-phenylbutan-1-one is CCC(N)C(=O)c1ccccc1.
What is the InChIKey of 2-amino-1-phenylbutan-1-one?
The InChIKey is SHBYDSJVZCGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-2-9(11)10(12)8-6-4-3-5-7-8/h3-7,9H,2,11H2,1H3.
What are the key properties of 2-amino-1-phenylbutan-1-one?
2-amino-1-phenylbutan-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylbutan-1-one is sourced from PubChem (CID 12764930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).