3-(methylamino)-1-(3-methylphenyl)propan-1-one

C11H15NO — CID 83695895

IUPAC3-(methylamino)-1-(3-methylphenyl)propan-1-one
SMILESCNCCC(=O)c1cccc(C)c1
InChIInChI=1S/C11H15NO/c1-9-4-3-5-10(8-9)11(13)6-7-12-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyXVKJDAHDMJNUPU-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.79
Rot. Bonds4

About 3-(methylamino)-1-(3-methylphenyl)propan-1-one

3-(methylamino)-1-(3-methylphenyl)propan-1-one (PubChem CID 83695895) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(methylamino)-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-(3-methylphenyl)propan-1-one
PubChem CID83695895
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(methylamino)-1-(3-methylphenyl)propan-1-one
SMILESCNCCC(=O)c1cccc(C)c1
InChIInChI=1S/C11H15NO/c1-9-4-3-5-10(8-9)11(13)6-7-12-2/h3-5,8,12H,6-7H2,1-2H3
InChIKeyXVKJDAHDMJNUPU-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)butan-1-one
CID 4304992
3-(methylamino)-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915455
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
ethane;3-(methylamino)-1-phenylpropan-1-one
CID 91239900
1-(3-fluoro-5-methylphenyl)-3-(methylamino)propan-1-one
CID 116561086
4-methyl-1-(3-methylphenyl)pent-4-en-1-one
CID 114473491
methyl 6-(3-methylphenyl)-6-oxohexanoate
CID 146007506
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
methylaminomethyl 3-methylbenzoate
CID 143511413
ethyl 6-(3-methylphenyl)-6-oxohexanoate
CID 24727324
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-(methylamino)-1-(3-methylphenyl)propan-1-one (CID 83695895) is 3-(methylamino)-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(methylamino)-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(methylamino)-1-(3-methylphenyl)propan-1-one is CNCCC(=O)c1cccc(C)c1.
What is the InChIKey of 3-(methylamino)-1-(3-methylphenyl)propan-1-one?
The InChIKey is XVKJDAHDMJNUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-4-3-5-10(8-9)11(13)6-7-12-2/h3-5,8,12H,6-7H2,1-2H3.
What are the key properties of 3-(methylamino)-1-(3-methylphenyl)propan-1-one?
3-(methylamino)-1-(3-methylphenyl)propan-1-one has a molecular weight of 177.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 83695895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).