(2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine

C11H14FNO — CID 95437584

IUPAC(2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine
SMILESC[C@@H]1OCCN[C@H]1c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-8-11(13-6-7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11+/m0/s1
InChIKeyHXUMPFFKHFLXNG-GZMMTYOYSA-N
MW195.24 g/mol
LogP1.88
Rot. Bonds1

About (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine

(2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine (PubChem CID 95437584) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine.

Molecular Properties

Compound Name(2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine
PubChem CID95437584
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name(2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine
SMILESC[C@@H]1OCCN[C@H]1c1ccc(F)cc1
InChIInChI=1S/C11H14FNO/c1-8-11(13-6-7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11+/m0/s1
InChIKeyHXUMPFFKHFLXNG-GZMMTYOYSA-N
XLogP1.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenmetrazine
CID 4762
Phenmetrazine Hydrochloride
CID 92159
3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10797392
2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
2-(3-Fluorophenyl)-3-methylmorpholine
CID 54673723
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
(6-Benzhydryl-tetrahydro-pyran-3-yl)-(4-fluoro-benzyl)-amine
CID 44287455
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
2-Benzylmorpholine
CID 125510
3-Phenylmorpholine--hydrogen chloride (1/1)
CID 17749820
(2S)-2-benzylmorpholine
CID 22868801
2-(3-Fluorophenyl)morpholine
CID 12343540

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine?
The IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine (CID 95437584) is (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine.
What is the SMILES notation for (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine?
The canonical SMILES for (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine is C[C@@H]1OCCN[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine?
The InChIKey is HXUMPFFKHFLXNG-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-8-11(13-6-7-14-8)9-2-4-10(12)5-3-9/h2-5,8,11,13H,6-7H2,1H3/t8-,11+/m0/s1.
What are the key properties of (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine?
(2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine has a molecular weight of 195.24 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-fluorophenyl)-2-methylmorpholine is sourced from PubChem (CID 95437584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).