2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine

C13H16Cl3NO — CID 102936602

IUPAC2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
SMILESCC1CN(Cc2ccc(Cl)cc2Cl)CC(CCl)O1
InChIInChI=1S/C13H16Cl3NO/c1-9-6-17(8-12(5-14)18-9)7-10-2-3-11(15)4-13(10)16/h2-4,9,12H,5-8H2,1H3
InChIKeyAUUPHIGKDQHPJS-UHFFFAOYSA-N
MW308.64 g/mol
LogP3.82
Rot. Bonds3

About 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine

2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine (PubChem CID 102936602) has the molecular formula C13H16Cl3NO and a molecular weight of 308.64 g/mol. Its IUPAC name is 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
PubChem CID102936602
Molecular FormulaC13H16Cl3NO
Molecular Weight308.64 g/mol
Exact Mass307.03
IUPAC Name2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine
SMILESCC1CN(Cc2ccc(Cl)cc2Cl)CC(CCl)O1
InChIInChI=1S/C13H16Cl3NO/c1-9-6-17(8-12(5-14)18-9)7-10-2-3-11(15)4-13(10)16/h2-4,9,12H,5-8H2,1H3
InChIKeyAUUPHIGKDQHPJS-UHFFFAOYSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-[(2-amino-4-chlorophenyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102932091
5-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 62100073
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
4-[(4-bromophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936655
2-(chloromethyl)-6-methyl-4-(pyridin-4-ylmethyl)morpholine
CID 102936755
4-chloro-2-[(2,6-dimethylmorpholin-4-yl)methyl]aniline
CID 79582306
1-[(2,4-dichlorophenyl)methyl]azetidin-3-amine
CID 65245032
[4-[(3-chloro-4-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
CID 102935735
3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666774
2-(chloromethyl)-6-methyl-4-[(1-methylpyrazol-4-yl)methyl]morpholine
CID 102936721
3-(bromomethyl)-1-[(2,4-dichlorophenyl)methyl]azetidine
CID 130531229
4-(chloromethyl)-1-[(2,4-dichlorophenyl)methyl]piperidine
CID 63387554

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine?
The IUPAC name of 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine (CID 102936602) is 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine.
What is the SMILES notation for 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine?
The canonical SMILES for 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine is CC1CN(Cc2ccc(Cl)cc2Cl)CC(CCl)O1.
What is the InChIKey of 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine?
The InChIKey is AUUPHIGKDQHPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl3NO/c1-9-6-17(8-12(5-14)18-9)7-10-2-3-11(15)4-13(10)16/h2-4,9,12H,5-8H2,1H3.
What are the key properties of 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine?
2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine has a molecular weight of 308.64 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-[(2,4-dichlorophenyl)methyl]-6-methylmorpholine is sourced from PubChem (CID 102936602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).