2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine

C15H23BrN2O — CID 107875654

IUPAC2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
SMILESCC1CN(c2ccc(C(C)(C)C)cn2)CC(CBr)O1
InChIInChI=1S/C15H23BrN2O/c1-11-9-18(10-13(7-16)19-11)14-6-5-12(8-17-14)15(2,3)4/h5-6,8,11,13H,7,9-10H2,1-4H3
InChIKeyQWNOAVODIRSRQG-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.37
Rot. Bonds2

About 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine

2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine (PubChem CID 107875654) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
PubChem CID107875654
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
SMILESCC1CN(c2ccc(C(C)(C)C)cn2)CC(CBr)O1
InChIInChI=1S/C15H23BrN2O/c1-11-9-18(10-13(7-16)19-11)14-6-5-12(8-17-14)15(2,3)4/h5-6,8,11,13H,7,9-10H2,1-4H3
InChIKeyQWNOAVODIRSRQG-UHFFFAOYSA-N
XLogP3.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine (CID 107875654) is 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine is CC1CN(c2ccc(C(C)(C)C)cn2)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
The InChIKey is QWNOAVODIRSRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-11-9-18(10-13(7-16)19-11)14-6-5-12(8-17-14)15(2,3)4/h5-6,8,11,13H,7,9-10H2,1-4H3.
What are the key properties of 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine?
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine has a molecular weight of 327.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine is sourced from PubChem (CID 107875654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).