4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine

C13H19BrN2O — CID 106876961

IUPAC4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine
SMILESCc1ccnc(N2CC(C)OC(C)(C)C2)c1Br
InChIInChI=1S/C13H19BrN2O/c1-9-5-6-15-12(11(9)14)16-7-10(2)17-13(3,4)8-16/h5-6,10H,7-8H2,1-4H3
InChIKeyJQGNBGUAEYDPLY-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.16
Rot. Bonds1

About 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine

4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine (PubChem CID 106876961) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine.

Molecular Properties

Compound Name4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine
PubChem CID106876961
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine
SMILESCc1ccnc(N2CC(C)OC(C)(C)C2)c1Br
InChIInChI=1S/C13H19BrN2O/c1-9-5-6-15-12(11(9)14)16-7-10(2)17-13(3,4)8-16/h5-6,10H,7-8H2,1-4H3
InChIKeyJQGNBGUAEYDPLY-UHFFFAOYSA-N
XLogP3.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine with MolForge

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Related Compounds

1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-ol
CID 106876353
1-(3-bromo-4-methyl-2-pyridinyl)-3-methylazetidin-3-amine
CID 106879157
[3-chloro-2-(2,2,6-trimethylmorpholin-4-yl)-4-pyridinyl]methanamine
CID 107055393
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyridin-3-amine
CID 81132923
[5-methyl-4-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-2-yl]hydrazine
CID 80907780
N,5-dimethyl-6-(2,2,6-trimethylmorpholin-4-yl)pyrimidin-4-amine
CID 80817219
6-(chloromethyl)-2,2-dimethyl-4-(3-methyl-2-pyridinyl)morpholine
CID 114780916
[3-(2,2,6-trimethylmorpholin-4-yl)pyridazin-4-yl]methanamine
CID 80508896
(6R)-2,2,6-trimethyl-4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)morpholine
CID 96536455
3-bromo-2-(4-chloropiperidin-1-yl)-4-methylpyridine
CID 106878850
1-(3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine
CID 106876604
4-(2,2,6-trimethylmorpholin-4-yl)quinazolin-6-amine
CID 64590100

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine?
The IUPAC name of 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine (CID 106876961) is 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine.
What is the SMILES notation for 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine?
The canonical SMILES for 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine is Cc1ccnc(N2CC(C)OC(C)(C)C2)c1Br.
What is the InChIKey of 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine?
The InChIKey is JQGNBGUAEYDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-9-5-6-15-12(11(9)14)16-7-10(2)17-13(3,4)8-16/h5-6,10H,7-8H2,1-4H3.
What are the key properties of 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine?
4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine has a molecular weight of 299.21 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methyl-2-pyridinyl)-2,2,6-trimethylmorpholine is sourced from PubChem (CID 106876961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).