2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine

C14H20BrNO — CID 102936812

IUPAC2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
SMILESCc1ccc(CN2CC(C)OC(CBr)C2)cc1
InChIInChI=1S/C14H20BrNO/c1-11-3-5-13(6-4-11)9-16-8-12(2)17-14(7-15)10-16/h3-6,12,14H,7-10H2,1-2H3
InChIKeyNADDRPVMDAJLGZ-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.98
Rot. Bonds3

About 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine

2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine (PubChem CID 102936812) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
PubChem CID102936812
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
SMILESCc1ccc(CN2CC(C)OC(CBr)C2)cc1
InChIInChI=1S/C14H20BrNO/c1-11-3-5-13(6-4-11)9-16-8-12(2)17-14(7-15)10-16/h3-6,12,14H,7-10H2,1-2H3
InChIKeyNADDRPVMDAJLGZ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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)-6-methyl-4-[(4-methylphenyl)methyl]morpholine?
The IUPAC name of 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine (CID 102936812) is 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine is Cc1ccc(CN2CC(C)OC(CBr)C2)cc1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine?
The InChIKey is NADDRPVMDAJLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-3-5-13(6-4-11)9-16-8-12(2)17-14(7-15)10-16/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine?
2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine has a molecular weight of 298.22 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine is sourced from PubChem (CID 102936812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).