2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine

C12H25BrN2O — CID 107914046

IUPAC2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CC(C)OC(CBr)C1
InChIInChI=1S/C12H25BrN2O/c1-4-14(5-2)6-7-15-9-11(3)16-12(8-13)10-15/h11-12H,4-10H2,1-3H3
InChIKeySRZJYVTVDVEXNE-UHFFFAOYSA-N
MW293.25 g/mol
LogP1.81
Rot. Bonds6

About 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine

2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine (PubChem CID 107914046) has the molecular formula C12H25BrN2O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
PubChem CID107914046
Molecular FormulaC12H25BrN2O
Molecular Weight293.25 g/mol
Exact Mass292.12
IUPAC Name2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCN1CC(C)OC(CBr)C1
InChIInChI=1S/C12H25BrN2O/c1-4-14(5-2)6-7-15-9-11(3)16-12(8-13)10-15/h11-12H,4-10H2,1-3H3
InChIKeySRZJYVTVDVEXNE-UHFFFAOYSA-N
XLogP1.81
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Bromoethyl)-2,6-dimethylmorpholine hydrobromide
CID 121553218
2-(Bromomethyl)-4-methylmorpholine hydrobromide
CID 132371414
2-(Bromomethyl)-4-methylmorpholine
CID 70291410
4-(2-Bromoethyl)-2,6-dimethylmorpholine
CID 53417644
2-(Bromomethyl)-4-(3-fluoropropyl)-5-methylmorpholine
CID 81209696
2-(Bromomethyl)-4-(2-fluoroethyl)-6-methylmorpholine
CID 102936761
2-(Bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine
CID 102936891
6-(Bromomethyl)-4-(2-fluoroethyl)-2,2-dimethylmorpholine
CID 114780637
6-(Bromomethyl)-4-(3-fluoropropyl)-2,2-dimethylmorpholine
CID 114780804
1-(2-Methoxypropyl)-4-methylpiperazine
CID 20649675
1-Methyl-4-(2-propan-2-yloxyethyl)piperazine
CID 59833512
4-(3-Bromopropyl)-2,2-dimethylmorpholine
CID 61287955

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine (CID 107914046) is 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine is CCN(CC)CCN1CC(C)OC(CBr)C1.
What is the InChIKey of 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
The InChIKey is SRZJYVTVDVEXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25BrN2O/c1-4-14(5-2)6-7-15-9-11(3)16-12(8-13)10-15/h11-12H,4-10H2,1-3H3.
What are the key properties of 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine?
2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine has a molecular weight of 293.25 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine is sourced from PubChem (CID 107914046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).