6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine

C11H22BrNO — CID 114780738

IUPAC6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C11H22BrNO/c1-9(2)6-13-7-10(5-12)14-11(3,4)8-13/h9-10H,5-8H2,1-4H3
InChIKeySDMFODOHULSEEC-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds3

About 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine

6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine (PubChem CID 114780738) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
PubChem CID114780738
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
SMILESCC(C)CN1CC(CBr)OC(C)(C)C1
InChIInChI=1S/C11H22BrNO/c1-9(2)6-13-7-10(5-12)14-11(3,4)8-13/h9-10H,5-8H2,1-4H3
InChIKeySDMFODOHULSEEC-UHFFFAOYSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.52
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

6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
(2R)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-2-ol
CID 106932913
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropylsulfonyl)morpholine
CID 114781810
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
6-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylmorpholine
CID 114780699
[6,6-dimethyl-4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanol
CID 114779619
6-(bromomethyl)-4-[2-(3-methoxypropoxy)ethyl]-2,2-dimethylmorpholine
CID 103184081
4-[(3-bromo-5-fluorophenyl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780762
3-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]propane-1,2-diol
CID 114782390
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780668
6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine
CID 114780794
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
CID 114780725

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine?
The IUPAC name of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine (CID 114780738) is 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine.
What is the SMILES notation for 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine?
The canonical SMILES for 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine is CC(C)CN1CC(CBr)OC(C)(C)C1.
What is the InChIKey of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine?
The InChIKey is SDMFODOHULSEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-9(2)6-13-7-10(5-12)14-11(3,4)8-13/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine?
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 114780738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).