(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine

C11H13Cl2NO2 — CID 42048862

IUPAC(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
SMILESClc1cccc(Cl)c1OC[C@@H]1CNCCO1
InChIInChI=1S/C11H13Cl2NO2/c12-9-2-1-3-10(13)11(9)16-7-8-6-14-4-5-15-8/h1-3,8,14H,4-7H2/t8-/m0/s1
InChIKeyHRMLRPDFYGVAAF-QMMMGPOBSA-N
MW262.14 g/mol
LogP2.36
Rot. Bonds3

About (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine

(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine (PubChem CID 42048862) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
PubChem CID42048862
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
SMILESClc1cccc(Cl)c1OC[C@@H]1CNCCO1
InChIInChI=1S/C11H13Cl2NO2/c12-9-2-1-3-10(13)11(9)16-7-8-6-14-4-5-15-8/h1-3,8,14H,4-7H2/t8-/m0/s1
InChIKeyHRMLRPDFYGVAAF-QMMMGPOBSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
2-[(4-bromo-2-chlorophenoxy)methyl]morpholine
CID 64535074
2-[[3-(morpholin-2-ylmethoxy)pyrazin-2-yl]oxymethyl]morpholine
CID 68542805
but-2-enedioic acid;2-[(2,6-dichlorophenyl)methoxymethyl]morpholine
CID 70455106
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
3-chloro-2-(oxolan-2-ylmethoxy)aniline
CID 43187374
2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663
3-chloro-2-[[(2S)-oxan-2-yl]methoxy]aniline
CID 26189169

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine?
The IUPAC name of (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine (CID 42048862) is (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine?
The canonical SMILES for (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine is Clc1cccc(Cl)c1OC[C@@H]1CNCCO1.
What is the InChIKey of (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine?
The InChIKey is HRMLRPDFYGVAAF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13Cl2NO2/c12-9-2-1-3-10(13)11(9)16-7-8-6-14-4-5-15-8/h1-3,8,14H,4-7H2/t8-/m0/s1.
What are the key properties of (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine?
(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine has a molecular weight of 262.14 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine is sourced from PubChem (CID 42048862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).