4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine

C12H24BrNO — CID 65011894

IUPAC4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CBr)C(C)C)CC(C)O1
InChIInChI=1S/C12H24BrNO/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8H2,1-4H3
InChIKeyMEITUSMBDSRNSL-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.76
Rot. Bonds4

About 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine

4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine (PubChem CID 65011894) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
PubChem CID65011894
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CBr)C(C)C)CC(C)O1
InChIInChI=1S/C12H24BrNO/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8H2,1-4H3
InChIKeyMEITUSMBDSRNSL-UHFFFAOYSA-N
XLogP2.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.76
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

4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
CID 65015766
1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine
CID 104960002
2-[2-(bromomethyl)-3-methylbutyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115561223
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
CID 130522014
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
(2R,6S)-4-(2,2-dimethoxyethyl)-2,6-dimethylmorpholine
CID 104959389
1-[2-(bromomethyl)-3-methylbutyl]-4-methylpyrrolidin-2-one
CID 65011811
2-chloro-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 104961253
2-amino-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 64797367
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-propylpropan-1-amine
CID 104960024
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanehydrazide
CID 104961276

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine (CID 65011894) is 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine is CC1CN(CC(CBr)C(C)C)CC(C)O1.
What is the InChIKey of 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine?
The InChIKey is MEITUSMBDSRNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-9(2)12(5-13)8-14-6-10(3)15-11(4)7-14/h9-12H,5-8H2,1-4H3.
What are the key properties of 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine?
4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine has a molecular weight of 278.23 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 65011894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).