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

C13H17Cl2NO — CID 2843289

IUPAC4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C13H17Cl2NO/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyFAIAGMVQEOPUTH-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.60
Rot. Bonds2

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

4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 2843289) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine
PubChem CID2843289
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine
SMILESCC1CN(Cc2ccc(Cl)cc2Cl)CC(C)O1
InChIInChI=1S/C13H17Cl2NO/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8H2,1-2H3
InChIKeyFAIAGMVQEOPUTH-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ML398
CID 72737723
(4-Chlorophenyl)(morpholino)methanethione
CID 684261
2-(Chloromethyl)-4-[(2-chlorophenyl)methyl]morpholine
CID 4962062
4-[(4-Chlorophenyl)methyl]morpholine
CID 783204
4-(2-Chlorobenzyl)-2,6-dimethylmorpholine
CID 2843397
4-(2-Chlorobenzyl)morpholine
CID 782978
4-[(2,6-Dichlorophenyl)methyl]morpholine
CID 2846033
Benzylamine, 2,4-dichloro-N-(2-ethoxyethyl)-
CID 52317
2-[Benzyl-[(2,4-dichlorophenyl)methyl]amino]ethanol
CID 783643
1,1'-[(4-Chlorobenzyl)imino]di(2-propanol)
CID 2846149
N-(2,4-dichlorobenzyl)-2-methoxyethanamine hydrochloride
CID 6460284
Morpholine, 4-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)-, (2R)-
CID 72737767

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine (CID 2843289) is 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine is CC1CN(Cc2ccc(Cl)cc2Cl)CC(C)O1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is FAIAGMVQEOPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-9-6-16(7-10(2)17-9)8-11-3-4-12(14)5-13(11)15/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine?
4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 274.19 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2843289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).