(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one

C15H23NO2 — CID 165471121

IUPAC(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
SMILESCN[C@@H](C)C(=O)CC(C)COCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(9-15(17)13(2)16-3)10-18-11-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyIBIXXPRIDCGSQH-ABLWVSNPSA-N
MW249.35 g/mol
LogP2.41
Rot. Bonds8

About (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one

(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one (PubChem CID 165471121) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one.

Molecular Properties

Compound Name(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
PubChem CID165471121
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
SMILESCN[C@@H](C)C(=O)CC(C)COCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-12(9-15(17)13(2)16-3)10-18-11-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t12?,13-/m0/s1
InChIKeyIBIXXPRIDCGSQH-ABLWVSNPSA-N
XLogP2.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471083
tert-butyl N-[(2S)-5-methyl-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate
CID 165471088
(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165468105
[(2S,5S)-2,5-dimethyl-4-oxo-6-phenylmethoxyhexyl] acetate
CID 10039995
methyl (3R,4S,6S)-3,4,6-trimethyl-7-phenylmethoxyheptanoate
CID 11415120
3-(methylamino)-1-phenylbutan-2-one
CID 116564854
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanoic acid
CID 11459012
2-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)acetamide
CID 119750653
2,2-dimethylpropanoyl (3R)-3-methyl-4-phenylmethoxybutanoate
CID 134847009
2-methyl-3-(methylamino)-N-(2-methyl-3-phenylmethoxypropyl)propanamide;hydrochloride
CID 119750664
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
benzyl (2S)-2-(methylamino)propanoate;molecular hydrogen
CID 144967680

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one?
The IUPAC name of (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one (CID 165471121) is (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one.
What is the SMILES notation for (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one?
The canonical SMILES for (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one is CN[C@@H](C)C(=O)CC(C)COCc1ccccc1.
What is the InChIKey of (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one?
The InChIKey is IBIXXPRIDCGSQH-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(9-15(17)13(2)16-3)10-18-11-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one?
(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one has a molecular weight of 249.35 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one is sourced from PubChem (CID 165471121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).