2-(methylamino)-1-(4-methylphenyl)butan-1-one

C12H17NO — CID 71750237

IUPAC2-(methylamino)-1-(4-methylphenyl)butan-1-one
SMILESCCC(NC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-4-11(13-3)12(14)10-7-5-9(2)6-8-10/h5-8,11,13H,4H2,1-3H3
InChIKeyZOGGCQVVLHCLHY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.18
Rot. Bonds4

About 2-(methylamino)-1-(4-methylphenyl)butan-1-one

2-(methylamino)-1-(4-methylphenyl)butan-1-one (PubChem CID 71750237) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(methylamino)-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-(4-methylphenyl)butan-1-one
PubChem CID71750237
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(methylamino)-1-(4-methylphenyl)butan-1-one
SMILESCCC(NC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO/c1-4-11(13-3)12(14)10-7-5-9(2)6-8-10/h5-8,11,13H,4H2,1-3H3
InChIKeyZOGGCQVVLHCLHY-UHFFFAOYSA-N
XLogP2.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(4-methylphenyl)butan-1-one?
The IUPAC name of 2-(methylamino)-1-(4-methylphenyl)butan-1-one (CID 71750237) is 2-(methylamino)-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 2-(methylamino)-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for 2-(methylamino)-1-(4-methylphenyl)butan-1-one is CCC(NC)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(methylamino)-1-(4-methylphenyl)butan-1-one?
The InChIKey is ZOGGCQVVLHCLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-11(13-3)12(14)10-7-5-9(2)6-8-10/h5-8,11,13H,4H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(4-methylphenyl)butan-1-one?
2-(methylamino)-1-(4-methylphenyl)butan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 71750237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).