(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine

C14H20BrNO — CID 154725513

IUPAC(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2ccccc2)C[C@H](CBr)O1
InChIInChI=1S/C14H20BrNO/c1-14(2)11-16(10-13(8-15)17-14)9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyJCJFEMAOQLFFRS-ZDUSSCGKSA-N
MW298.22 g/mol
LogP3.06
Rot. Bonds3

About (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine

(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine (PubChem CID 154725513) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
PubChem CID154725513
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2ccccc2)C[C@H](CBr)O1
InChIInChI=1S/C14H20BrNO/c1-14(2)11-16(10-13(8-15)17-14)9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1
InChIKeyJCJFEMAOQLFFRS-ZDUSSCGKSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.06
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)-4-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylmorpholine
CID 114780699
4-[(3-bromo-5-fluorophenyl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780762
6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine
CID 114780679
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 114781637
[6,6-dimethyl-4-(2-phenylethyl)morpholin-2-yl]methanol
CID 114779799
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777343
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzoic acid
CID 114777324
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
CID 114780725
6-(bromomethyl)-2,2-dimethyl-4-(2-methylpropyl)morpholine
CID 114780738
[4-[(3-methoxyphenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782598
[6,6-dimethyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanol
CID 114779633
(3aS,6aR)-5-benzyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole
CID 11831337

Frequently Asked Questions

What is the IUPAC name of (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine?
The IUPAC name of (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine (CID 154725513) is (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine.
What is the SMILES notation for (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine?
The canonical SMILES for (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine is CC1(C)CN(Cc2ccccc2)C[C@H](CBr)O1.
What is the InChIKey of (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine?
The InChIKey is JCJFEMAOQLFFRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-14(2)11-16(10-13(8-15)17-14)9-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine?
(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine has a molecular weight of 298.22 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine is sourced from PubChem (CID 154725513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).