(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride

C13H20ClNO3 — CID 71752943

IUPAC(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@H]1CNCCO1
InChIInChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m1./s1/i1D3,2D2;
InChIKeyHJOCKFVCMLCPTP-WKLLMZCCSA-N
MW278.79 g/mol
LogP1.87
Rot. Bonds6

About (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride

(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride (PubChem CID 71752943) has the molecular formula C13H20ClNO3 and a molecular weight of 278.79 g/mol. Its IUPAC name is (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
PubChem CID71752943
Molecular FormulaC13H20ClNO3
Molecular Weight278.79 g/mol
Exact Mass278.14
IUPAC Name(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
SMILESCl.[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@H]1CNCCO1
InChIInChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m1./s1/i1D3,2D2;
InChIKeyHJOCKFVCMLCPTP-WKLLMZCCSA-N
XLogP1.87
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
CID 71752946
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
(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-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608
2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
CID 114468909
2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
CID 19424036
2-[(2-ethoxyphenoxy)methyl]morpholine;(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
CID 174902132
2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983
2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 114469155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride?
The IUPAC name of (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride (CID 71752943) is (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride.
What is the SMILES notation for (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride?
The canonical SMILES for (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride is Cl.[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@H]1CNCCO1.
What is the InChIKey of (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride?
The InChIKey is HJOCKFVCMLCPTP-WKLLMZCCSA-N. The full InChI is InChI=1S/C13H19NO3.ClH/c1-2-15-12-5-3-4-6-13(12)17-10-11-9-14-7-8-16-11;/h3-6,11,14H,2,7-10H2,1H3;1H/t11-;/m1./s1/i1D3,2D2;.
What are the key properties of (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride?
(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride has a molecular weight of 278.79 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride is sourced from PubChem (CID 71752943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).