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

C12H17NO2 — CID 43794763

IUPAC2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-9(13(2)3)12(14)10-5-7-11(15-4)8-6-10/h5-9H,1-4H3
InChIKeyLODCRGDBFNUJIZ-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.83
Rot. Bonds4

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

2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one (PubChem CID 43794763) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one
PubChem CID43794763
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)N(C)C)cc1
InChIInChI=1S/C12H17NO2/c1-9(13(2)3)12(14)10-5-7-11(15-4)8-6-10/h5-9H,1-4H3
InChIKeyLODCRGDBFNUJIZ-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one (CID 43794763) is 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is LODCRGDBFNUJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(13(2)3)12(14)10-5-7-11(15-4)8-6-10/h5-9H,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one?
2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 207.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43794763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).