1-[3-[(dimethylamino)methyl]phenyl]ethanone

C11H15NO — CID 59652755

IUPAC1-[3-[(dimethylamino)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C11H15NO/c1-9(13)11-6-4-5-10(7-11)8-12(2)3/h4-7H,8H2,1-3H3
InChIKeyICRBYQVYMPFREK-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds3

About 1-[3-[(dimethylamino)methyl]phenyl]ethanone

1-[3-[(dimethylamino)methyl]phenyl]ethanone (PubChem CID 59652755) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]phenyl]ethanone
PubChem CID59652755
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-[3-[(dimethylamino)methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN(C)C)c1
InChIInChI=1S/C11H15NO/c1-9(13)11-6-4-5-10(7-11)8-12(2)3/h4-7H,8H2,1-3H3
InChIKeyICRBYQVYMPFREK-UHFFFAOYSA-N
XLogP1.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]ethanone (CID 59652755) is 1-[3-[(dimethylamino)methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]phenyl]ethanone is CC(=O)c1cccc(CN(C)C)c1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]phenyl]ethanone?
The InChIKey is ICRBYQVYMPFREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(13)11-6-4-5-10(7-11)8-12(2)3/h4-7H,8H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]phenyl]ethanone?
1-[3-[(dimethylamino)methyl]phenyl]ethanone has a molecular weight of 177.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]phenyl]ethanone is sourced from PubChem (CID 59652755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).