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

C12H16FNO — CID 132530885

IUPAC(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
SMILESC[C@@H]1OCCN(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-9-12(14(2)7-8-15-9)10-3-5-11(13)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKeyXKPSKYGQMWCTOL-JOYOIKCWSA-N
MW209.26 g/mol
LogP2.22
Rot. Bonds1

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

(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine (PubChem CID 132530885) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine.

Molecular Properties

Compound Name(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
PubChem CID132530885
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine
SMILESC[C@@H]1OCCN(C)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c1-9-12(14(2)7-8-15-9)10-3-5-11(13)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1
InChIKeyXKPSKYGQMWCTOL-JOYOIKCWSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phendimetrazine
CID 30487
Bontril
CID 12460
4-Benzyl-2-(2-phenylethyl)morpholine
CID 20354789
Phendimetrazine hydrochloride
CID 6437591
3,4-Dimethyl-2-phenylmorpholine--hydrogen chloride (1/1)
CID 111021
4-[(4-Fluorophenyl)methyl]-2-(2-phenylethyl)morpholine
CID 72737750
3-(Cyclopropylmethoxy)-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-1-azaspiro[3.5]nonane
CID 124044957
4-(2-Fluorobenzyl)morpholine
CID 783642
4-(3-Fluorobenzyl)morpholine
CID 783756
4-(1-Phenylbutyl)morpholine--hydrogen chloride (1/1)
CID 3057372
1-Piperidineethanol, beta-phenyl-
CID 199647
Piperidine, 1-(2-(phenethyloxy)phenyl)-
CID 213757

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine?
The IUPAC name of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine (CID 132530885) is (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine.
What is the SMILES notation for (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine?
The canonical SMILES for (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine is C[C@@H]1OCCN(C)[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine?
The InChIKey is XKPSKYGQMWCTOL-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H16FNO/c1-9-12(14(2)7-8-15-9)10-3-5-11(13)6-4-10/h3-6,9,12H,7-8H2,1-2H3/t9-,12+/m0/s1.
What are the key properties of (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine?
(2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine has a molecular weight of 209.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-fluorophenyl)-2,4-dimethylmorpholine is sourced from PubChem (CID 132530885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).