(2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine

C19H21F2NO2 — CID 54207196

IUPAC(2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine
SMILESCc1cc(F)cc(CCO[C@@H]2OCCN[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C19H21F2NO2/c1-13-10-14(12-17(21)11-13)6-8-23-19-18(22-7-9-24-19)15-2-4-16(20)5-3-15/h2-5,10-12,18-19,22H,6-9H2,1H3/t18-,19+/m0/s1
InChIKeyPTIDSCSWKNIZLZ-RBUKOAKNSA-N
MW333.38 g/mol
LogP3.52
Rot. Bonds5

About (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine

(2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine (PubChem CID 54207196) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine.

Molecular Properties

Compound Name(2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine
PubChem CID54207196
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name(2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine
SMILESCc1cc(F)cc(CCO[C@@H]2OCCN[C@H]2c2ccc(F)cc2)c1
InChIInChI=1S/C19H21F2NO2/c1-13-10-14(12-17(21)11-13)6-8-23-19-18(22-7-9-24-19)15-2-4-16(20)5-3-15/h2-5,10-12,18-19,22H,6-9H2,1H3/t18-,19+/m0/s1
InChIKeyPTIDSCSWKNIZLZ-RBUKOAKNSA-N
XLogP3.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
The IUPAC name of (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine (CID 54207196) is (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine.
What is the SMILES notation for (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
The canonical SMILES for (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine is Cc1cc(F)cc(CCO[C@@H]2OCCN[C@H]2c2ccc(F)cc2)c1.
What is the InChIKey of (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
The InChIKey is PTIDSCSWKNIZLZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-13-10-14(12-17(21)11-13)6-8-23-19-18(22-7-9-24-19)15-2-4-16(20)5-3-15/h2-5,10-12,18-19,22H,6-9H2,1H3/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine?
(2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine has a molecular weight of 333.38 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[2-(3-fluoro-5-methylphenyl)ethoxy]-3-(4-fluorophenyl)morpholine is sourced from PubChem (CID 54207196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).