6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine

C15H21Br2NO2 — CID 114780794

IUPAC6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCOc2ccc(Br)cc2)CC(CBr)O1
InChIInChI=1S/C15H21Br2NO2/c1-15(2)11-18(10-14(9-16)20-15)7-8-19-13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3
InChIKeyJOOBMMMCYONMOI-UHFFFAOYSA-N
MW407.15 g/mol
LogP3.70
Rot. Bonds5

About 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine

6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine (PubChem CID 114780794) has the molecular formula C15H21Br2NO2 and a molecular weight of 407.15 g/mol. Its IUPAC name is 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine
PubChem CID114780794
Molecular FormulaC15H21Br2NO2
Molecular Weight407.15 g/mol
Exact Mass404.99
IUPAC Name6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(CCOc2ccc(Br)cc2)CC(CBr)O1
InChIInChI=1S/C15H21Br2NO2/c1-15(2)11-18(10-14(9-16)20-15)7-8-19-13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3
InChIKeyJOOBMMMCYONMOI-UHFFFAOYSA-N
XLogP3.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.15
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine
CID 103184081
6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
CID 114780725
6-(bromomethyl)-2,2-dimethyl-4-[2-(2-methylimidazol-1-yl)ethyl]morpholine
CID 114780779
[4-[2-(2-aminophenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776376
[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-(4-ethoxyphenyl)methanone
CID 114781680
[4-[2-(2,5-dimethylphenoxy)ethyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779812
6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine
CID 114780679
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine (CID 114780794) is 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine is CC1(C)CN(CCOc2ccc(Br)cc2)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine?
The InChIKey is JOOBMMMCYONMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Br2NO2/c1-15(2)11-18(10-14(9-16)20-15)7-8-19-13-5-3-12(17)4-6-13/h3-6,14H,7-11H2,1-2H3.
What are the key properties of 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine?
6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine has a molecular weight of 407.15 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 114780794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).