(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine

C21H26FNO3 — CID 67754493

IUPAC(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine
SMILESCC(C)Oc1cccc(CCO[C@@H]2OCCNC2c2ccc(F)cc2)c1
InChIInChI=1S/C21H26FNO3/c1-15(2)26-19-5-3-4-16(14-19)10-12-24-21-20(23-11-13-25-21)17-6-8-18(22)9-7-17/h3-9,14-15,20-21,23H,10-13H2,1-2H3/t20?,21-/m1/s1
InChIKeyJRCQDAYXKXGLGF-BPGUCPLFSA-N
MW359.44 g/mol
LogP3.86
Rot. Bonds7

About (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine

(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine (PubChem CID 67754493) has the molecular formula C21H26FNO3 and a molecular weight of 359.44 g/mol. Its IUPAC name is (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine.

Molecular Properties

Compound Name(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine
PubChem CID67754493
Molecular FormulaC21H26FNO3
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine
SMILESCC(C)Oc1cccc(CCO[C@@H]2OCCNC2c2ccc(F)cc2)c1
InChIInChI=1S/C21H26FNO3/c1-15(2)26-19-5-3-4-16(14-19)10-12-24-21-20(23-11-13-25-21)17-6-8-18(22)9-7-17/h3-9,14-15,20-21,23H,10-13H2,1-2H3/t20?,21-/m1/s1
InChIKeyJRCQDAYXKXGLGF-BPGUCPLFSA-N
XLogP3.86
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 56981744
2-[1-(3-fluoro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 10269838
(2R,3S)-2-[(1R)-1-[4-chloro-3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
CID 22860644
2-[1-(3-chloro-5-propan-2-yloxyphenyl)ethoxy]-3-phenylmorpholine
CID 10156343
(2R,3S)-3-(4-fluorophenyl)-2-[(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 142646309
1-(2-bromoethyl)-3-propan-2-yloxybenzene
CID 64867927
3-(4-fluorophenyl)-2-[1-[3-methyl-5-(trifluoromethyl)phenyl]ethoxy]morpholine
CID 21348560
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972
(2R)-2-[3-[2-(4-fluorophenoxy)ethyl]phenoxy]propanamide
CID 97132336
(E)-3-(4-fluorophenyl)-N-[(3-propan-2-yloxyphenyl)methyl]prop-2-enamide
CID 99996359
(2R,3S)-N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933677
3-(4-fluorophenyl)-N-[3-(3-propan-2-yloxyphenyl)propyl]propanamide
CID 100720745

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine?
The IUPAC name of (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine (CID 67754493) is (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine.
What is the SMILES notation for (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine?
The canonical SMILES for (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine is CC(C)Oc1cccc(CCO[C@@H]2OCCNC2c2ccc(F)cc2)c1.
What is the InChIKey of (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine?
The InChIKey is JRCQDAYXKXGLGF-BPGUCPLFSA-N. The full InChI is InChI=1S/C21H26FNO3/c1-15(2)26-19-5-3-4-16(14-19)10-12-24-21-20(23-11-13-25-21)17-6-8-18(22)9-7-17/h3-9,14-15,20-21,23H,10-13H2,1-2H3/t20?,21-/m1/s1.
What are the key properties of (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine?
(2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine has a molecular weight of 359.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(4-fluorophenyl)-2-[2-(3-propan-2-yloxyphenyl)ethoxy]morpholine is sourced from PubChem (CID 67754493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).