(2S)-2-(3-methoxyphenyl)-5-methylmorpholine

C12H17NO2 — CID 134607229

IUPAC(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
SMILESCOc1cccc([C@H]2CNC(C)CO2)c1
InChIInChI=1S/C12H17NO2/c1-9-8-15-12(7-13-9)10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3/t9?,12-/m1/s1
InChIKeyUMZZZGCYPUGUQI-FFFFSGIJSA-N
MW207.27 g/mol
LogP1.74
Rot. Bonds2

About (2S)-2-(3-methoxyphenyl)-5-methylmorpholine

(2S)-2-(3-methoxyphenyl)-5-methylmorpholine (PubChem CID 134607229) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenyl)-5-methylmorpholine.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
PubChem CID134607229
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
SMILESCOc1cccc([C@H]2CNC(C)CO2)c1
InChIInChI=1S/C12H17NO2/c1-9-8-15-12(7-13-9)10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3/t9?,12-/m1/s1
InChIKeyUMZZZGCYPUGUQI-FFFFSGIJSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
(2S,5S)-5-methyl-2-(3-methylphenyl)morpholine
CID 39238398
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696
5-methyl-2-naphthalen-2-ylmorpholine
CID 43367075
2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane
CID 117227039
2-(3-bromo-4-fluorophenyl)-5-methylmorpholine
CID 62913908
(1R,4R,6S)-4-(3-methoxyphenyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 100945526
2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylmorpholine
CID 43174749
2-(3,5-difluorophenyl)-5-methylmorpholine
CID 78021784

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenyl)-5-methylmorpholine?
The IUPAC name of (2S)-2-(3-methoxyphenyl)-5-methylmorpholine (CID 134607229) is (2S)-2-(3-methoxyphenyl)-5-methylmorpholine.
What is the SMILES notation for (2S)-2-(3-methoxyphenyl)-5-methylmorpholine?
The canonical SMILES for (2S)-2-(3-methoxyphenyl)-5-methylmorpholine is COc1cccc([C@H]2CNC(C)CO2)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenyl)-5-methylmorpholine?
The InChIKey is UMZZZGCYPUGUQI-FFFFSGIJSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-8-15-12(7-13-9)10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3/t9?,12-/m1/s1.
What are the key properties of (2S)-2-(3-methoxyphenyl)-5-methylmorpholine?
(2S)-2-(3-methoxyphenyl)-5-methylmorpholine has a molecular weight of 207.27 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenyl)-5-methylmorpholine is sourced from PubChem (CID 134607229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).