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

C10H13NO — CID 59960222

IUPAC(1S)-1-(methylamino)-1-phenylpropan-2-one
SMILESCN[C@H](C(C)=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(12)10(11-2)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3/t10-/m1/s1
InChIKeyLNLNWQQWSFMHBW-SNVBAGLBSA-N
MW163.22 g/mol
LogP1.54
Rot. Bonds3

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

(1S)-1-(methylamino)-1-phenylpropan-2-one (PubChem CID 59960222) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (1S)-1-(methylamino)-1-phenylpropan-2-one.

Molecular Properties

Compound Name(1S)-1-(methylamino)-1-phenylpropan-2-one
PubChem CID59960222
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(1S)-1-(methylamino)-1-phenylpropan-2-one
SMILESCN[C@H](C(C)=O)c1ccccc1
InChIInChI=1S/C10H13NO/c1-8(12)10(11-2)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3/t10-/m1/s1
InChIKeyLNLNWQQWSFMHBW-SNVBAGLBSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(methylamino)-2-phenylacetamide
CID 3738076
1-(4-chlorophenyl)-1-(methylamino)propan-2-one
CID 116955808
2-(methylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 12739398
N-(2-oxo-1-phenylpropyl)cyclopropanecarboxamide
CID 134269746
1-[(4-methylpyrimidin-2-yl)amino]-1-phenylpropan-2-one
CID 70811148
2-acetamido-2-phenylethanethioic S-acid
CID 54058419
2-(methylamino)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 146675512
1-iodo-1-phenylpropan-2-one
CID 11322912
N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
CID 59237081
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
(2S)-2-(hydroxyamino)-1,2-diphenylethanone
CID 7016003
(2R)-2-(methylamino)-2-(4-propan-2-ylphenyl)acetic acid
CID 93280068

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(methylamino)-1-phenylpropan-2-one?
The IUPAC name of (1S)-1-(methylamino)-1-phenylpropan-2-one (CID 59960222) is (1S)-1-(methylamino)-1-phenylpropan-2-one.
What is the SMILES notation for (1S)-1-(methylamino)-1-phenylpropan-2-one?
The canonical SMILES for (1S)-1-(methylamino)-1-phenylpropan-2-one is CN[C@H](C(C)=O)c1ccccc1.
What is the InChIKey of (1S)-1-(methylamino)-1-phenylpropan-2-one?
The InChIKey is LNLNWQQWSFMHBW-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO/c1-8(12)10(11-2)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3/t10-/m1/s1.
What are the key properties of (1S)-1-(methylamino)-1-phenylpropan-2-one?
(1S)-1-(methylamino)-1-phenylpropan-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(methylamino)-1-phenylpropan-2-one is sourced from PubChem (CID 59960222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).