(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine

C11H22BrNO — CID 104960002

IUPAC(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine
SMILESCCC(CBr)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H22BrNO/c1-4-11(5-12)8-13-6-9(2)14-10(3)7-13/h9-11H,4-8H2,1-3H3/t9-,10+,11?
InChIKeyPWFGHXDYURDUKH-ZACCUICWSA-N
MW264.21 g/mol
LogP2.52
Rot. Bonds4

About (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine

(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine (PubChem CID 104960002) has the molecular formula C11H22BrNO and a molecular weight of 264.21 g/mol. Its IUPAC name is (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine
PubChem CID104960002
Molecular FormulaC11H22BrNO
Molecular Weight264.21 g/mol
Exact Mass263.09
IUPAC Name(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine
SMILESCCC(CBr)CN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C11H22BrNO/c1-4-11(5-12)8-13-6-9(2)14-10(3)7-13/h9-11H,4-8H2,1-3H3/t9-,10+,11?
InChIKeyPWFGHXDYURDUKH-ZACCUICWSA-N
XLogP2.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

1-bromo-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-2-ol
CID 104959987
4-[2-(bromomethyl)-3-methylbutyl]-2,6-dimethylmorpholine
CID 65011894
4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
CID 65015766
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
4-[2-(bromomethyl)butyl]-2,5-dimethylmorpholine
CID 65000043
1-[2-(bromomethyl)butyl]-4-ethylpiperazine
CID 65000720
2-amino-3-(2,6-dimethylmorpholin-4-yl)propan-1-ol
CID 64797367
(2R,6S)-4-(2,2-dimethoxyethyl)-2,6-dimethylmorpholine
CID 104959389
1-[2-(bromomethyl)butyl]-N,N-dimethylpiperidin-4-amine
CID 65000171
2-chloro-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 104961253
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
CID 130522014
1-(2-ethylpentyl)-3-methylazetidine
CID 170275965

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine (CID 104960002) is (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine is CCC(CBr)CN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine?
The InChIKey is PWFGHXDYURDUKH-ZACCUICWSA-N. The full InChI is InChI=1S/C11H22BrNO/c1-4-11(5-12)8-13-6-9(2)14-10(3)7-13/h9-11H,4-8H2,1-3H3/t9-,10+,11?.
What are the key properties of (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine has a molecular weight of 264.21 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[2-(bromomethyl)butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 104960002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).