(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one

C13H19NO — CID 170393708

IUPAC(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
SMILESCN[C@H](CC(C)=O)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-10-4-6-12(7-5-10)9-13(14-3)8-11(2)15/h4-7,13-14H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyHNPTUURHRSZVIV-CYBMUJFWSA-N
MW205.30 g/mol
LogP2.10
Rot. Bonds5

About (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one

(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one (PubChem CID 170393708) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
PubChem CID170393708
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one
SMILESCN[C@H](CC(C)=O)Cc1ccc(C)cc1
InChIInChI=1S/C13H19NO/c1-10-4-6-12(7-5-10)9-13(14-3)8-11(2)15/h4-7,13-14H,8-9H2,1-3H3/t13-/m1/s1
InChIKeyHNPTUURHRSZVIV-CYBMUJFWSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-3-(4-methylphenyl)propan-1-ol
CID 83529884
(3R)-3-(methylamino)-4-(4-methylphenyl)butan-2-one
CID 58858482
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687
4-(methylamino)-5-(4-methylphenyl)pentanal
CID 144898654
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
ethyl 4-(4-tert-butylphenyl)-3-(methylamino)butanoate
CID 82351798
1-ethylsulfanyl-N-methyl-3-(4-methylphenyl)propan-2-amine
CID 65128454
ethyl 3-(ethylamino)-4-(4-methylphenyl)butanoate
CID 82351703
5-ethylsulfonyl-N-methyl-1-(4-methylphenyl)pentan-2-amine
CID 65095558
3-(diphosphanylamino)-4-(4-methylphenyl)butanoic acid
CID 90337933
1-(4-fluorophenyl)-N,4-dimethylpent-4-en-2-amine
CID 79179136

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one?
The IUPAC name of (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one (CID 170393708) is (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one.
What is the SMILES notation for (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one?
The canonical SMILES for (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one is CN[C@H](CC(C)=O)Cc1ccc(C)cc1.
What is the InChIKey of (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one?
The InChIKey is HNPTUURHRSZVIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-4-6-12(7-5-10)9-13(14-3)8-11(2)15/h4-7,13-14H,8-9H2,1-3H3/t13-/m1/s1.
What are the key properties of (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one?
(4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one has a molecular weight of 205.30 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methylamino)-5-(4-methylphenyl)pentan-2-one is sourced from PubChem (CID 170393708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).