3-(N-methylanilino)-1-phenylpropan-1-one

C16H17NO — CID 15652804

IUPAC3-(N-methylanilino)-1-phenylpropan-1-one
SMILESCN(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-17(15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyLCFFHFJYALMRGB-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.40
Rot. Bonds5

About 3-(N-methylanilino)-1-phenylpropan-1-one

3-(N-methylanilino)-1-phenylpropan-1-one (PubChem CID 15652804) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(N-methylanilino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(N-methylanilino)-1-phenylpropan-1-one
PubChem CID15652804
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(N-methylanilino)-1-phenylpropan-1-one
SMILESCN(CCC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c1-17(15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3
InChIKeyLCFFHFJYALMRGB-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 62612961
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
N-methyl-N-(3-oxo-3-phenylpropyl)formamide
CID 15311171
3-(diethylamino)-1-phenylpropan-1-one;hydrochloride
CID 13496280
3-(4-ethyl-N-methylanilino)-1-(4-methylphenyl)propan-1-one
CID 63484455
1-(3-chlorophenyl)-3-(4-fluoro-N-methylanilino)propan-1-one
CID 62629866
3-[bis(2-hydroxyethyl)amino]-1-phenylpropan-1-one
CID 62611924
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
3-[ethyl(propyl)amino]-1-phenylpropan-1-one
CID 62614249
3-(dibutylamino)-1-phenylpropan-1-one
CID 62614247
17-(dimethylamino)-1-phenylheptadecan-1-one;hydrobromide
CID 175178049

Frequently Asked Questions

What is the IUPAC name of 3-(N-methylanilino)-1-phenylpropan-1-one?
The IUPAC name of 3-(N-methylanilino)-1-phenylpropan-1-one (CID 15652804) is 3-(N-methylanilino)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(N-methylanilino)-1-phenylpropan-1-one?
The canonical SMILES for 3-(N-methylanilino)-1-phenylpropan-1-one is CN(CCC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(N-methylanilino)-1-phenylpropan-1-one?
The InChIKey is LCFFHFJYALMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-17(15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-11H,12-13H2,1H3.
What are the key properties of 3-(N-methylanilino)-1-phenylpropan-1-one?
3-(N-methylanilino)-1-phenylpropan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-methylanilino)-1-phenylpropan-1-one is sourced from PubChem (CID 15652804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).