[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

C13H17Cl2NO2 — CID 81213707

IUPAC[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-9-8-18-10(7-17)5-16(9)6-11-12(14)3-2-4-13(11)15/h2-4,9-10,17H,5-8H2,1H3
InChIKeyBQLMCJSUGXRFSX-UHFFFAOYSA-N
MW290.19 g/mol
LogP2.58
Rot. Bonds3

About [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol

[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81213707) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81213707
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-9-8-18-10(7-17)5-16(9)6-11-12(14)3-2-4-13(11)15/h2-4,9-10,17H,5-8H2,1H3
InChIKeyBQLMCJSUGXRFSX-UHFFFAOYSA-N
XLogP2.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3-chloro-2-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 86781915
[(2S,5S)-4-benzyl-5-methylmorpholin-2-yl]methanol
CID 124512761
[4-[(2-amino-6-fluorophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81206386
4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenol
CID 81219785
[4-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 75440057
[(2S,5R)-4-[(4-chloro-2-methylphenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 100698230
[4-[(2-aminophenyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81202901
[5-methyl-4-(1,2-oxazol-5-ylmethyl)morpholin-2-yl]methanol
CID 81219706
[4-[(2-chloro-4-pyridinyl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81203357
[(2S,5S)-5-methyl-4-[(5-phenylfuran-2-yl)methyl]morpholin-2-yl]methanol
CID 97153592
3-chloro-4-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzenecarbothioamide
CID 102666322
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]benzonitrile
CID 81203398

Frequently Asked Questions

What is the IUPAC name of [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol (CID 81213707) is [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is BQLMCJSUGXRFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-9-8-18-10(7-17)5-16(9)6-11-12(14)3-2-4-13(11)15/h2-4,9-10,17H,5-8H2,1H3.
What are the key properties of [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol?
[4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 290.19 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,6-dichlorophenyl)methyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81213707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).