(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine

C19H22FNO3 — CID 59166814

IUPAC(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
SMILESCCOc1ccc(F)cc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C19H22FNO3/c1-2-22-16-9-8-15(20)12-17(16)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3/t18-,19?/m0/s1
InChIKeyCWHBBFUTGUBLLH-OYKVQYDMSA-N
MW331.39 g/mol
LogP3.33
Rot. Bonds6

About (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine

(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine (PubChem CID 59166814) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
PubChem CID59166814
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
SMILESCCOc1ccc(F)cc1OC(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C19H22FNO3/c1-2-22-16-9-8-15(20)12-17(16)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3/t18-,19?/m0/s1
InChIKeyCWHBBFUTGUBLLH-OYKVQYDMSA-N
XLogP3.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine?
The IUPAC name of (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine (CID 59166814) is (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine?
The canonical SMILES for (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine is CCOc1ccc(F)cc1OC(c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine?
The InChIKey is CWHBBFUTGUBLLH-OYKVQYDMSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-2-22-16-9-8-15(20)12-17(16)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3/t18-,19?/m0/s1.
What are the key properties of (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine?
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine has a molecular weight of 331.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 59166814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).