bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride

C26H39ClN2O6 — CID 157316678

IUPACbis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
SMILESCCOc1ccccc1OCC1CNCCO1.CCOc1ccccc1OCC1CNCCO1.Cl
InChIInChI=1S/2C13H19NO3.ClH/c2*1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h2*3-6,11,14H,2,7-10H2,1H3;1H
InChIKeyPFKOETKYSBSVOP-UHFFFAOYSA-N
MW511.06 g/mol
LogP3.33
Rot. Bonds10

About bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride

bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride (PubChem CID 157316678) has the molecular formula C26H39ClN2O6 and a molecular weight of 511.06 g/mol. Its IUPAC name is bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride.

Molecular Properties

Compound Namebis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
PubChem CID157316678
Molecular FormulaC26H39ClN2O6
Molecular Weight511.06 g/mol
Exact Mass510.25
IUPAC Namebis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
SMILESCCOc1ccccc1OCC1CNCCO1.CCOc1ccccc1OCC1CNCCO1.Cl
InChIInChI=1S/2C13H19NO3.ClH/c2*1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h2*3-6,11,14H,2,7-10H2,1H3;1H
InChIKeyPFKOETKYSBSVOP-UHFFFAOYSA-N
XLogP3.33
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.06
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
CID 71752943
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 174902132
(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
CID 71752946
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
2-[(2-pyridin-2-yloxyphenoxy)methyl]morpholine
CID 12919862
2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 114469155
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
CID 114468909

Frequently Asked Questions

What is the IUPAC name of bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride?
The IUPAC name of bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride (CID 157316678) is bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride.
What is the SMILES notation for bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride?
The canonical SMILES for bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride is CCOc1ccccc1OCC1CNCCO1.CCOc1ccccc1OCC1CNCCO1.Cl.
What is the InChIKey of bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride?
The InChIKey is PFKOETKYSBSVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H19NO3.ClH/c2*1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h2*3-6,11,14H,2,7-10H2,1H3;1H.
What are the key properties of bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride?
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride has a molecular weight of 511.06 g/mol, XLogP of 3.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride is sourced from PubChem (CID 157316678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).