(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine

C13H19NO3 — CID 71752946

IUPAC(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
SMILES[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@@H]1CNCCO1
InChIInChI=1S/C13H19NO3/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/t11-/m0/s1/i1D3,2D2
InChIKeyYWPHCCPCQOJSGZ-KWTQIMNASA-N
MW242.33 g/mol
LogP1.45
Rot. Bonds6

About (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine

(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine (PubChem CID 71752946) has the molecular formula C13H19NO3 and a molecular weight of 242.33 g/mol. Its IUPAC name is (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
PubChem CID71752946
Molecular FormulaC13H19NO3
Molecular Weight242.33 g/mol
Exact Mass242.17
IUPAC Name(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine
SMILES[2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@@H]1CNCCO1
InChIInChI=1S/C13H19NO3/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/t11-/m0/s1/i1D3,2D2
InChIKeyYWPHCCPCQOJSGZ-KWTQIMNASA-N
XLogP1.45
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine;hydrochloride
CID 71752943
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
(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 (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine?
The IUPAC name of (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine (CID 71752946) is (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine.
What is the SMILES notation for (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine?
The canonical SMILES for (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine is [2H]C([2H])([2H])C([2H])([2H])Oc1ccccc1OC[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine?
The InChIKey is YWPHCCPCQOJSGZ-KWTQIMNASA-N. The full InChI is InChI=1S/C13H19NO3/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/t11-/m0/s1/i1D3,2D2.
What are the key properties of (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine?
(2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine has a molecular weight of 242.33 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1,1,2,2,2-pentadeuterioethoxy)phenoxy]methyl]morpholine is sourced from PubChem (CID 71752946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).