2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine

C19H22FNO3 — CID 68542255

IUPAC2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine
SMILESCCOc1c(F)cccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C19H22FNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
InChIKeySDWFQAOCJPRPAB-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.33
Rot. Bonds6

About 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine

2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine (PubChem CID 68542255) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine
PubChem CID68542255
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine
SMILESCCOc1c(F)cccc1OC(c1ccccc1)C1CNCCO1
InChIInChI=1S/C19H22FNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
InChIKeySDWFQAOCJPRPAB-UHFFFAOYSA-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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Related Compounds

2-[(2-ethoxy-6-fluorophenoxy)-phenylmethyl]morpholine
CID 56678217
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
2-[(S)-(2,6-difluorophenoxy)-phenylmethyl]morpholine
CID 68542729
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2S)-2-[(R)-(4-chloro-2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 68597009
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 174902132
2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 23458462
2-[(2-ethoxyphenoxy)-(4-methylphenyl)methyl]morpholine
CID 74337094
(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid;hydrate
CID 88922222
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(3-chloro-2-methoxyphenoxy)-phenylmethyl]morpholine
CID 68600973

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine?
The IUPAC name of 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine (CID 68542255) is 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine is CCOc1c(F)cccc1OC(c1ccccc1)C1CNCCO1.
What is the InChIKey of 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine?
The InChIKey is SDWFQAOCJPRPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3.
What are the key properties of 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine?
2-[(2-ethoxy-3-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 2-[(2-ethoxy-3-fluorophenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 68542255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).