2-(dimethylamino)-1-(4-methylphenyl)propan-1-one

C12H17NO — CID 43794768

IUPAC2-(dimethylamino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)C)cc1
InChIInChI=1S/C12H17NO/c1-9-5-7-11(8-6-9)12(14)10(2)13(3)4/h5-8,10H,1-4H3
InChIKeyFXLSIGLYVVJURY-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.13
Rot. Bonds3

About 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one

2-(dimethylamino)-1-(4-methylphenyl)propan-1-one (PubChem CID 43794768) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methylphenyl)propan-1-one
PubChem CID43794768
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(dimethylamino)-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)N(C)C)cc1
InChIInChI=1S/C12H17NO/c1-9-5-7-11(8-6-9)12(14)10(2)13(3)4/h5-8,10H,1-4H3
InChIKeyFXLSIGLYVVJURY-UHFFFAOYSA-N
XLogP2.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one (CID 43794768) is 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is FXLSIGLYVVJURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9-5-7-11(8-6-9)12(14)10(2)13(3)4/h5-8,10H,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one?
2-(dimethylamino)-1-(4-methylphenyl)propan-1-one has a molecular weight of 191.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 43794768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).