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

C14H21NO2 — CID 165468105

IUPAC(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
SMILESCN[C@@H](C)C(=O)CCCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(15-2)14(16)9-6-10-17-11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3/t12-/m0/s1
InChIKeyOCLRTJRNSBCZAF-LBPRGKRZSA-N
MW235.33 g/mol
LogP2.16
Rot. Bonds8

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

(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one (PubChem CID 165468105) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one.

Molecular Properties

Compound Name(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
PubChem CID165468105
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one
SMILESCN[C@@H](C)C(=O)CCCOCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(15-2)14(16)9-6-10-17-11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3/t12-/m0/s1
InChIKeyOCLRTJRNSBCZAF-LBPRGKRZSA-N
XLogP2.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2R)-3-oxo-6-phenylmethoxyhexan-2-yl]carbamate
CID 165468645
(2S)-5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471121
5-methyl-2-(methylamino)-6-phenylmethoxyhexan-3-one
CID 165471083
1-(methylamino)-6-phenylmethoxyhexan-3-one
CID 130588813
4-(2-phenylmethoxyethoxy)butanoic acid
CID 155072083
3-(methylamino)-1-phenylbutan-2-one
CID 116564854
(2S)-4-methyl-2-(4-phenylmethoxybutanoylamino)pentanoic acid
CID 119360898
6-methyl-5-phenyl-1-[[4-(propoxymethyl)phenyl]methoxy]heptan-4-one
CID 149167538
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
3-methyl-6-phenylmethoxyhexan-2-one
CID 15686946
methyl 8-phenylmethoxyoctanoate
CID 562206
tert-butyl N-[(3S)-4-oxo-7-phenylmethoxyheptan-3-yl]carbamate
CID 165464633

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one?
The IUPAC name of (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one (CID 165468105) is (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one.
What is the SMILES notation for (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one?
The canonical SMILES for (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one is CN[C@@H](C)C(=O)CCCOCc1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one?
The InChIKey is OCLRTJRNSBCZAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(15-2)14(16)9-6-10-17-11-13-7-4-3-5-8-13/h3-5,7-8,12,15H,6,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one?
(2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-6-phenylmethoxyhexan-3-one is sourced from PubChem (CID 165468105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).