(2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine

C18H19BrFNO2 — CID 22860667

IUPAC(2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine
SMILESC[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrFNO2/c1-12(14-3-2-4-15(19)11-14)23-18-17(21-9-10-22-18)13-5-7-16(20)8-6-13/h2-8,11-12,17-18,21H,9-10H2,1H3/t12-,17+,18-/m1/s1
InChIKeyAXGQIOJOHZQZFN-OCBCSQNSSA-N
MW380.26 g/mol
LogP4.35
Rot. Bonds4

About (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine

(2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine (PubChem CID 22860667) has the molecular formula C18H19BrFNO2 and a molecular weight of 380.26 g/mol. Its IUPAC name is (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name(2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine
PubChem CID22860667
Molecular FormulaC18H19BrFNO2
Molecular Weight380.26 g/mol
Exact Mass379.06
IUPAC Name(2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine
SMILESC[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cccc(Br)c1
InChIInChI=1S/C18H19BrFNO2/c1-12(14-3-2-4-15(19)11-14)23-18-17(21-9-10-22-18)13-5-7-16(20)8-6-13/h2-8,11-12,17-18,21H,9-10H2,1H3/t12-,17+,18-/m1/s1
InChIKeyAXGQIOJOHZQZFN-OCBCSQNSSA-N
XLogP4.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-(3-bromophenyl)-3,5,5-trimethylmorpholin-2-ol
CID 46837649
(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl)ethoxy]-3-(4-fluorophenyl)morpholine hydrochloride
CID 10116311
1-[2-[(3,5-Dibromophenyl)methoxy]-1-phenylethyl]piperazine
CID 10321715
1-[2-[(3-Bromo-5-iodophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338545
(S)-1-(2-(3,5-dibromobenzyloxy)-1-phenylethyl)piperazine
CID 44338587
1-[(1R)-2-[(3,5-dibromophenyl)methoxy]-1-phenylethyl]piperazine
CID 44338638
2-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl) morpholine, (2R,3S)-
CID 10113945
(2R,3S)-2-((R)-1-(3,5-Bis(trifluoromethyl)phenyl)-ethoxy)-3-(4-fluorophenyl)morpholine
CID 18755561
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-5-methyl-3-phenylmorpholine
CID 18004625
2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-6-methyl-3-phenylmorpholine
CID 18004631
C20H19ClF7NO2
CID 53400835
2-(3-Bromo-4-fluorophenyl)morpholine
CID 62913542

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
The IUPAC name of (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine (CID 22860667) is (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
The canonical SMILES for (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine is C[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cccc(Br)c1.
What is the InChIKey of (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
The InChIKey is AXGQIOJOHZQZFN-OCBCSQNSSA-N. The full InChI is InChI=1S/C18H19BrFNO2/c1-12(14-3-2-4-15(19)11-14)23-18-17(21-9-10-22-18)13-5-7-16(20)8-6-13/h2-8,11-12,17-18,21H,9-10H2,1H3/t12-,17+,18-/m1/s1.
What are the key properties of (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
(2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine has a molecular weight of 380.26 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(1R)-1-(3-bromophenyl)ethoxy]-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 22860667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).