4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine

C13H17BrClNO — CID 138490319

IUPAC4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2cccc(Br)c2Cl)CCO1
InChIInChI=1S/C13H17BrClNO/c1-13(2)9-16(6-7-17-13)8-10-4-3-5-11(14)12(10)15/h3-5H,6-9H2,1-2H3
InChIKeyLBTMGZZXUQUFPJ-UHFFFAOYSA-N
MW318.64 g/mol
LogP3.71
Rot. Bonds2

About 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine

4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine (PubChem CID 138490319) has the molecular formula C13H17BrClNO and a molecular weight of 318.64 g/mol. Its IUPAC name is 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine
PubChem CID138490319
Molecular FormulaC13H17BrClNO
Molecular Weight318.64 g/mol
Exact Mass317.02
IUPAC Name4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2cccc(Br)c2Cl)CCO1
InChIInChI=1S/C13H17BrClNO/c1-13(2)9-16(6-7-17-13)8-10-4-3-5-11(14)12(10)15/h3-5H,6-9H2,1-2H3
InChIKeyLBTMGZZXUQUFPJ-UHFFFAOYSA-N
XLogP3.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.64
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Bromobenzyl)morpholine
CID 783082
4-(2-Chlorobenzyl)-2,6-dimethylmorpholine
CID 2843397
4-[(3-Bromo-2-chlorophenyl)methyl]-2-(trifluoromethyl)morpholine
CID 122656521
4-(3-Bromobenzyl)-2,6-dimethylmorpholine
CID 2843007
4-[(3-Bromo-4-fluorophenyl)methyl]-2,2-dimethylmorpholine
CID 61037691
4-[(3-Bromo-4-fluorophenyl)methyl]-2,2,6-trimethylmorpholine
CID 61783590
4-[(3-Bromo-5-fluorophenyl)methyl]-2,2-dimethylmorpholine
CID 79673119
6-(Bromomethyl)-4-[(2-chloro-5-fluorophenyl)methyl]-2,2-dimethylmorpholine
CID 102620256
4-[(3-Bromo-5-fluorophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936679
4-[(3-Bromo-4-fluorophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936723
4-[(5-Bromo-2-fluorophenyl)methyl]-2-(chloromethyl)-6-methylmorpholine
CID 102936753
2-(Bromomethyl)-4-[(2-chloro-4-fluorophenyl)methyl]-6-methylmorpholine
CID 102936858

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine (CID 138490319) is 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine is CC1(C)CN(Cc2cccc(Br)c2Cl)CCO1.
What is the InChIKey of 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine?
The InChIKey is LBTMGZZXUQUFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO/c1-13(2)9-16(6-7-17-13)8-10-4-3-5-11(14)12(10)15/h3-5H,6-9H2,1-2H3.
What are the key properties of 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine?
4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine has a molecular weight of 318.64 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromo-2-chlorophenyl)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 138490319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).