(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

C15H21Cl2NO2 — CID 167885794

IUPAC(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(Cc2c(Cl)cccc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2)10-18(7-11(20-15)9-19-3)8-12-13(16)5-4-6-14(12)17/h4-6,11H,7-10H2,1-3H3/t11-/m0/s1
InChIKeyRLTHLTQFJPYUCE-NSHDSACASA-N
MW318.24 g/mol
LogP3.62
Rot. Bonds4

About (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine

(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (PubChem CID 167885794) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
PubChem CID167885794
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
SMILESCOC[C@@H]1CN(Cc2c(Cl)cccc2Cl)CC(C)(C)O1
InChIInChI=1S/C15H21Cl2NO2/c1-15(2)10-18(7-11(20-15)9-19-3)8-12-13(16)5-4-6-14(12)17/h4-6,11H,7-10H2,1-3H3/t11-/m0/s1
InChIKeyRLTHLTQFJPYUCE-NSHDSACASA-N
XLogP3.62
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-amino-6-chlorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776448
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350850
(6R)-6-(methoxymethyl)-2,2-dimethyl-4-(pyrimidin-2-ylmethyl)morpholine
CID 129350849
6-(methoxymethyl)-2,2-dimethyl-4-[(3-methylquinoxalin-2-yl)methyl]morpholine
CID 128978215
4-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]-N-methylbenzamide
CID 129483089
(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128989915
(6S)-6-(methoxymethyl)-2,2-dimethyl-4-[(3-methyltriazol-4-yl)methyl]morpholine
CID 129491465
2-(2-chlorophenoxy)-1-[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485526
4-[[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]pyridin-2-amine
CID 128975935
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 128978245
2-fluoro-5-[[(6R)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzonitrile
CID 129482269
(6S)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129345524

Frequently Asked Questions

What is the IUPAC name of (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine (CID 167885794) is (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is COC[C@@H]1CN(Cc2c(Cl)cccc2Cl)CC(C)(C)O1.
What is the InChIKey of (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
The InChIKey is RLTHLTQFJPYUCE-NSHDSACASA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-15(2)10-18(7-11(20-15)9-19-3)8-12-13(16)5-4-6-14(12)17/h4-6,11H,7-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine?
(6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine has a molecular weight of 318.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 167885794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).