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

C14H21NO — CID 43227731

IUPAC2-(diethylamino)-1-(4-methylphenyl)propan-1-one
SMILESCCN(CC)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-15(6-2)12(4)14(16)13-9-7-11(3)8-10-13/h7-10,12H,5-6H2,1-4H3
InChIKeySPARQPFHQXMJOR-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.91
Rot. Bonds5

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

2-(diethylamino)-1-(4-methylphenyl)propan-1-one (PubChem CID 43227731) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(diethylamino)-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-(4-methylphenyl)propan-1-one
PubChem CID43227731
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(diethylamino)-1-(4-methylphenyl)propan-1-one
SMILESCCN(CC)C(C)C(=O)c1ccc(C)cc1
InChIInChI=1S/C14H21NO/c1-5-15(6-2)12(4)14(16)13-9-7-11(3)8-10-13/h7-10,12H,5-6H2,1-4H3
InChIKeySPARQPFHQXMJOR-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-(diethylamino)-1-(4-methylphenyl)propan-1-one (CID 43227731) is 2-(diethylamino)-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-(diethylamino)-1-(4-methylphenyl)propan-1-one is CCN(CC)C(C)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(diethylamino)-1-(4-methylphenyl)propan-1-one?
The InChIKey is SPARQPFHQXMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15(6-2)12(4)14(16)13-9-7-11(3)8-10-13/h7-10,12H,5-6H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-(4-methylphenyl)propan-1-one?
2-(diethylamino)-1-(4-methylphenyl)propan-1-one has a molecular weight of 219.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 43227731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).