2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine

C32H42N2O6 — CID 174902132

IUPAC2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
SMILESCCOc1ccccc1OCC1CNCCO1.CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C19H23NO3.C13H19NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-11,18-20H,2,12-14H2,1H3;3-6,11,14H,2,7-10H2,1H3/t18-,19-;/m0./s1
InChIKeyKBJBXLWWTZLGOL-HLRBRJAUSA-N
MW550.70 g/mol
LogP4.65
Rot. Bonds11

About 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine

2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine (PubChem CID 174902132) has the molecular formula C32H42N2O6 and a molecular weight of 550.70 g/mol. Its IUPAC name is 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine.

Molecular Properties

Compound Name2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
PubChem CID174902132
Molecular FormulaC32H42N2O6
Molecular Weight550.70 g/mol
Exact Mass550.30
IUPAC Name2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
SMILESCCOc1ccccc1OCC1CNCCO1.CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C19H23NO3.C13H19NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-11,18-20H,2,12-14H2,1H3;3-6,11,14H,2,7-10H2,1H3/t18-,19-;/m0./s1
InChIKeyKBJBXLWWTZLGOL-HLRBRJAUSA-N
XLogP4.65
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.70
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine with MolForge

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Related Compounds

(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;hydrochloride
CID 46178247
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
2-[(2-ethoxyphenoxy)-(4-methylphenyl)methyl]morpholine
CID 74337094
(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid;hydrate
CID 88922222
2-[(2-ethoxyphenoxy)-(4-methoxyphenyl)methyl]morpholine
CID 10066040
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
(2R)-2-[(S)-(2-methylphenoxy)-phenylmethyl]morpholine
CID 45101528
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
(2R)-2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 59166891
2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 11616643
2-[(2-ethoxyphenoxy)-[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 23458462

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine?
The IUPAC name of 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine (CID 174902132) is 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine.
What is the SMILES notation for 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine?
The canonical SMILES for 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine is CCOc1ccccc1OCC1CNCCO1.CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine?
The InChIKey is KBJBXLWWTZLGOL-HLRBRJAUSA-N. The full InChI is InChI=1S/C19H23NO3.C13H19NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18;1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11/h3-11,18-20H,2,12-14H2,1H3;3-6,11,14H,2,7-10H2,1H3/t18-,19-;/m0./s1.
What are the key properties of 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine?
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine has a molecular weight of 550.70 g/mol, XLogP of 4.65, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine is sourced from PubChem (CID 174902132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).