2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine

C10H18BrNO — CID 102936772

IUPAC2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine
SMILESCC1CN(CC2CC2)CC(CBr)O1
InChIInChI=1S/C10H18BrNO/c1-8-5-12(6-9-2-3-9)7-10(4-11)13-8/h8-10H,2-7H2,1H3
InChIKeyLJRCTKGLJGEEDU-UHFFFAOYSA-N
MW248.16 g/mol
LogP1.88
Rot. Bonds3

About 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine

2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine (PubChem CID 102936772) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine
PubChem CID102936772
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine
SMILESCC1CN(CC2CC2)CC(CBr)O1
InChIInChI=1S/C10H18BrNO/c1-8-5-12(6-9-2-3-9)7-10(4-11)13-8/h8-10H,2-7H2,1H3
InChIKeyLJRCTKGLJGEEDU-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine (CID 102936772) is 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine is CC1CN(CC2CC2)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine?
The InChIKey is LJRCTKGLJGEEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8-5-12(6-9-2-3-9)7-10(4-11)13-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine?
2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine has a molecular weight of 248.16 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine is sourced from PubChem (CID 102936772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).