2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine

C12H23BrN2O2 — CID 81210623

IUPAC2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine
SMILESCC1COC(CBr)CN1CCN1CCOCC1
InChIInChI=1S/C12H23BrN2O2/c1-11-10-17-12(8-13)9-15(11)3-2-14-4-6-16-7-5-14/h11-12H,2-10H2,1H3
InChIKeyAJCMDZNGWYAHTC-UHFFFAOYSA-N
MW307.23 g/mol
LogP0.80
Rot. Bonds4

About 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine

2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine (PubChem CID 81210623) has the molecular formula C12H23BrN2O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine
PubChem CID81210623
Molecular FormulaC12H23BrN2O2
Molecular Weight307.23 g/mol
Exact Mass306.09
IUPAC Name2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine
SMILESCC1COC(CBr)CN1CCN1CCOCC1
InChIInChI=1S/C12H23BrN2O2/c1-11-10-17-12(8-13)9-15(11)3-2-14-4-6-16-7-5-14/h11-12H,2-10H2,1H3
InChIKeyAJCMDZNGWYAHTC-UHFFFAOYSA-N
XLogP0.80
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-heptyl-5-methylmorpholine
CID 81209581
2-(bromomethyl)-5-methyl-4-[3-(oxolan-2-yl)propyl]morpholine
CID 81209803
4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
CID 80675433
2-(bromomethyl)-5-methyl-4-(oxolan-3-yl)morpholine
CID 81211092
1-[2-(2,5-dimethylmorpholin-4-yl)ethyl]piperidin-4-amine
CID 79327606
4-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(bromomethyl)-5-methylmorpholine
CID 81209910
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[4-[(4-ethylmorpholin-2-yl)methyl]-5-methylmorpholin-2-yl]methanol
CID 81213819
2-(bromomethyl)-4-cycloheptyl-5-methylmorpholine
CID 82936148
2-(bromomethyl)-5-methyl-4-[(1-methylindazol-3-yl)methyl]morpholine
CID 81209909
ethane;4-propylmorpholine
CID 143004992
4-[2-(2-methyl-1,4-diazepan-1-yl)ethyl]morpholine
CID 82242594

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine?
The IUPAC name of 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine (CID 81210623) is 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine.
What is the SMILES notation for 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine?
The canonical SMILES for 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine is CC1COC(CBr)CN1CCN1CCOCC1.
What is the InChIKey of 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine?
The InChIKey is AJCMDZNGWYAHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23BrN2O2/c1-11-10-17-12(8-13)9-15(11)3-2-14-4-6-16-7-5-14/h11-12H,2-10H2,1H3.
What are the key properties of 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine?
2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine has a molecular weight of 307.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-methyl-4-(2-morpholin-4-ylethyl)morpholine is sourced from PubChem (CID 81210623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).