3-(methylamino)-1-phenylbutan-2-one

C11H15NO — CID 116564854

IUPAC3-(methylamino)-1-phenylbutan-2-one
SMILESCNC(C)C(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-9(12-2)11(13)8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKeyJTHBDJLKCNEPDP-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.41
Rot. Bonds4

About 3-(methylamino)-1-phenylbutan-2-one

3-(methylamino)-1-phenylbutan-2-one (PubChem CID 116564854) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-(methylamino)-1-phenylbutan-2-one.

Molecular Properties

Compound Name3-(methylamino)-1-phenylbutan-2-one
PubChem CID116564854
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-(methylamino)-1-phenylbutan-2-one
SMILESCNC(C)C(=O)Cc1ccccc1
InChIInChI=1S/C11H15NO/c1-9(12-2)11(13)8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3
InChIKeyJTHBDJLKCNEPDP-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-oxo-4-phenylbutan-2-yl)carbamic acid
CID 67239937
3-(methylamino)-1-(4-methylphenyl)butan-2-one
CID 116565005
(3S,4R)-4-hydroxy-3-(methylamino)-1-phenylpentan-2-one
CID 23519310
(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471121
(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165468105
5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471083
2-methyl-3-oxo-4-phenylbutanenitrile
CID 15914422
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
(3S,6R)-1,3,6,8-tetraphenyloctane-2,4,5,7-tetrone
CID 124578428
(2R)-2-[(2-phenylacetyl)amino]propanamide
CID 15719286
(2S)-2-[(2-phenylacetyl)amino]propanamide
CID 15719285

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-phenylbutan-2-one?
The IUPAC name of 3-(methylamino)-1-phenylbutan-2-one (CID 116564854) is 3-(methylamino)-1-phenylbutan-2-one.
What is the SMILES notation for 3-(methylamino)-1-phenylbutan-2-one?
The canonical SMILES for 3-(methylamino)-1-phenylbutan-2-one is CNC(C)C(=O)Cc1ccccc1.
What is the InChIKey of 3-(methylamino)-1-phenylbutan-2-one?
The InChIKey is JTHBDJLKCNEPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(12-2)11(13)8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3.
What are the key properties of 3-(methylamino)-1-phenylbutan-2-one?
3-(methylamino)-1-phenylbutan-2-one has a molecular weight of 177.25 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-phenylbutan-2-one is sourced from PubChem (CID 116564854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).