2-(methylamino)-1-phenylbutan-1-one

C11H15NO — CID 53249194

IUPAC2-(methylamino)-1-phenylbutan-1-one
SMILESCCC(NC)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3
InChIKeyDDPMGIMJSRUULN-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.87
Rot. Bonds4

About 2-(methylamino)-1-phenylbutan-1-one

2-(methylamino)-1-phenylbutan-1-one (PubChem CID 53249194) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(methylamino)-1-phenylbutan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-phenylbutan-1-one
PubChem CID53249194
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(methylamino)-1-phenylbutan-1-one
SMILESCCC(NC)C(=O)c1ccccc1
InChIInChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3
InChIKeyDDPMGIMJSRUULN-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-phenylbutan-1-one?
The IUPAC name of 2-(methylamino)-1-phenylbutan-1-one (CID 53249194) is 2-(methylamino)-1-phenylbutan-1-one.
What is the SMILES notation for 2-(methylamino)-1-phenylbutan-1-one?
The canonical SMILES for 2-(methylamino)-1-phenylbutan-1-one is CCC(NC)C(=O)c1ccccc1.
What is the InChIKey of 2-(methylamino)-1-phenylbutan-1-one?
The InChIKey is DDPMGIMJSRUULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-10(12-2)11(13)9-7-5-4-6-8-9/h4-8,10,12H,3H2,1-2H3.
What are the key properties of 2-(methylamino)-1-phenylbutan-1-one?
2-(methylamino)-1-phenylbutan-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-phenylbutan-1-one is sourced from PubChem (CID 53249194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).