(2S)-2-(methylamino)-1-phenylpropan-1-one

C10H13NO — CID 22815141

IUPAC(2S)-2-(methylamino)-1-phenylpropan-1-one
SMILESCN[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1
InChIKeyLPLLVINFLBSFRP-QMMMGPOBSA-N
MW163.22 g/mol
LogP1.48
Rot. Bonds3

About (2S)-2-(methylamino)-1-phenylpropan-1-one

(2S)-2-(methylamino)-1-phenylpropan-1-one (PubChem CID 22815141) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S)-2-(methylamino)-1-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(methylamino)-1-phenylpropan-1-one
PubChem CID22815141
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2S)-2-(methylamino)-1-phenylpropan-1-one
SMILESCN[C@@H](C)C(=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1
InChIKeyLPLLVINFLBSFRP-QMMMGPOBSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-1-phenylpropan-1-one?
The IUPAC name of (2S)-2-(methylamino)-1-phenylpropan-1-one (CID 22815141) is (2S)-2-(methylamino)-1-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-(methylamino)-1-phenylpropan-1-one?
The canonical SMILES for (2S)-2-(methylamino)-1-phenylpropan-1-one is CN[C@@H](C)C(=O)c1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-1-phenylpropan-1-one?
The InChIKey is LPLLVINFLBSFRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,11H,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-1-phenylpropan-1-one?
(2S)-2-(methylamino)-1-phenylpropan-1-one has a molecular weight of 163.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-1-phenylpropan-1-one is sourced from PubChem (CID 22815141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).