2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one

C18H21NO2 — CID 2940421

IUPAC2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-19(2)17(13-14-7-5-4-6-8-14)18(20)15-9-11-16(21-3)12-10-15/h4-12,17H,13H2,1-3H3
InChIKeyGJTFPWQGSDQBFO-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.05
Rot. Bonds6

About 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one

2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 2940421) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID2940421
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1
InChIInChI=1S/C18H21NO2/c1-19(2)17(13-14-7-5-4-6-8-14)18(20)15-9-11-16(21-3)12-10-15/h4-12,17H,13H2,1-3H3
InChIKeyGJTFPWQGSDQBFO-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.05
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)-3-phenylpropan-1-one?
The IUPAC name of 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one (CID 2940421) is 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one is COc1ccc(C(=O)C(Cc2ccccc2)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is GJTFPWQGSDQBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-19(2)17(13-14-7-5-4-6-8-14)18(20)15-9-11-16(21-3)12-10-15/h4-12,17H,13H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one?
2-(dimethylamino)-1-(4-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.05, 6 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)-3-phenylpropan-1-one is sourced from PubChem (CID 2940421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).