(3R)-3-(methylamino)-4-phenylbutan-2-one

C11H15NO — CID 59965984

IUPAC(3R)-3-(methylamino)-4-phenylbutan-2-one
SMILESCN[C@H](Cc1ccccc1)C(C)=O
InChIInChI=1S/C11H15NO/c1-9(13)11(12-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-/m1/s1
InChIKeyUVAJPZQQGDWPLW-LLVKDONJSA-N
MW177.25 g/mol
LogP1.41
Rot. Bonds4

About (3R)-3-(methylamino)-4-phenylbutan-2-one

(3R)-3-(methylamino)-4-phenylbutan-2-one (PubChem CID 59965984) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3R)-3-(methylamino)-4-phenylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-(methylamino)-4-phenylbutan-2-one
PubChem CID59965984
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3R)-3-(methylamino)-4-phenylbutan-2-one
SMILESCN[C@H](Cc1ccccc1)C(C)=O
InChIInChI=1S/C11H15NO/c1-9(13)11(12-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-/m1/s1
InChIKeyUVAJPZQQGDWPLW-LLVKDONJSA-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

(3S)-3-(methylamino)-4-(4-phenylphenyl)butan-2-one
CID 59048252
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(3S)-3-(hydroxyamino)-4-phenylbutan-2-one
CID 121371812
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
1-hydroxycyclopropane-1-carbaldehyde;3-(methylamino)-4-phenylbutan-2-one
CID 176961743
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
(3S)-3-hydrazinyl-4-phenylbutan-2-one
CID 118951823
(2S)-4-methyl-2-(methylamino)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]pentanamide
CID 122429933
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
methanamine;(3S)-3-(methylamino)-2-oxo-4-phenylbutanoic acid
CID 163483257
ethane;(3S)-3-(methylamino)-5-phenylpentan-2-one
CID 142958851
3-(methylamino)-4-pyridin-3-ylbutan-2-one
CID 22974289

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-4-phenylbutan-2-one?
The IUPAC name of (3R)-3-(methylamino)-4-phenylbutan-2-one (CID 59965984) is (3R)-3-(methylamino)-4-phenylbutan-2-one.
What is the SMILES notation for (3R)-3-(methylamino)-4-phenylbutan-2-one?
The canonical SMILES for (3R)-3-(methylamino)-4-phenylbutan-2-one is CN[C@H](Cc1ccccc1)C(C)=O.
What is the InChIKey of (3R)-3-(methylamino)-4-phenylbutan-2-one?
The InChIKey is UVAJPZQQGDWPLW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(13)11(12-2)8-10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-3-(methylamino)-4-phenylbutan-2-one?
(3R)-3-(methylamino)-4-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 (3R)-3-(methylamino)-4-phenylbutan-2-one is sourced from PubChem (CID 59965984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).