2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine

C14H20ClNO2 — CID 106864801

IUPAC2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
SMILESCc1ccc(COCC2CNCC(C)O2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10-3-4-12(14(15)5-10)8-17-9-13-7-16-6-11(2)18-13/h3-5,11,13,16H,6-9H2,1-2H3
InChIKeyZKCUSTXPTURBIN-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.54
Rot. Bonds4

About 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine

2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine (PubChem CID 106864801) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
PubChem CID106864801
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine
SMILESCc1ccc(COCC2CNCC(C)O2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10-3-4-12(14(15)5-10)8-17-9-13-7-16-6-11(2)18-13/h3-5,11,13,16H,6-9H2,1-2H3
InChIKeyZKCUSTXPTURBIN-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[(6-methylmorpholin-2-yl)methoxymethyl]benzamide
CID 102668905
(2S,5S)-2-[(2,4-dichlorophenyl)methoxymethyl]-5-methyloxolane
CID 130474408
(6R)-2-methyl-6-(phenylmethoxymethyl)morpholine
CID 68662666
4-fluoro-3-[(6-methylmorpholin-2-yl)methoxymethyl]benzonitrile
CID 102633564
2-[(3,5-difluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633650
2-[(3-fluorophenyl)methoxymethyl]-6-methylmorpholine
CID 102633920
2-methyl-6-(quinolin-4-ylmethoxymethyl)morpholine
CID 102634147
2-(1-benzothiophen-3-ylmethoxymethyl)-6-methylmorpholine
CID 102633734
2-methyl-6-[(5-methyl-2-pyridinyl)oxymethyl]morpholine
CID 102635037
2-[(3-bromothiophen-2-yl)methoxymethyl]-6-methylmorpholine
CID 102633844
2-methyl-6-[(5-methyl-2-nitrophenoxy)methyl]morpholine
CID 102634814
4-[(6-methylmorpholin-2-yl)methoxymethyl]pyridine-2-carbonitrile
CID 102633875

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine?
The IUPAC name of 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine (CID 106864801) is 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine.
What is the SMILES notation for 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine?
The canonical SMILES for 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine is Cc1ccc(COCC2CNCC(C)O2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine?
The InChIKey is ZKCUSTXPTURBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10-3-4-12(14(15)5-10)8-17-9-13-7-16-6-11(2)18-13/h3-5,11,13,16H,6-9H2,1-2H3.
What are the key properties of 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine?
2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine has a molecular weight of 269.77 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-methylphenyl)methoxymethyl]-6-methylmorpholine is sourced from PubChem (CID 106864801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).