2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine

C13H15BrF3NO — CID 102937208

IUPAC2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine
SMILESCC1CN(c2ccccc2C(F)(F)F)CC(CBr)O1
InChIInChI=1S/C13H15BrF3NO/c1-9-7-18(8-10(6-14)19-9)12-5-3-2-4-11(12)13(15,16)17/h2-5,9-10H,6-8H2,1H3
InChIKeyBUOBYQXUQADPSA-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.69
Rot. Bonds2

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

2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine (PubChem CID 102937208) has the molecular formula C13H15BrF3NO and a molecular weight of 338.17 g/mol. Its IUPAC name is 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine
PubChem CID102937208
Molecular FormulaC13H15BrF3NO
Molecular Weight338.17 g/mol
Exact Mass337.03
IUPAC Name2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine
SMILESCC1CN(c2ccccc2C(F)(F)F)CC(CBr)O1
InChIInChI=1S/C13H15BrF3NO/c1-9-7-18(8-10(6-14)19-9)12-5-3-2-4-11(12)13(15,16)17/h2-5,9-10H,6-8H2,1H3
InChIKeyBUOBYQXUQADPSA-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine with MolForge

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

Launch Full Analysis

Related Compounds

[2-(bromomethyl)-6-methylmorpholin-4-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 102937724
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102935226
(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 94502238
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
CID 102937213
2-(bromomethyl)-6-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 102936816
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
(2S,6R)-4-(2-cyclopropylphenyl)-2,6-dimethylmorpholine
CID 126517774
2-(bromomethyl)-6-methyl-4-(4-methylpyrimidin-2-yl)morpholine
CID 102937159
2-(bromomethyl)-4-(4-ethylsulfonylphenyl)-6-methylmorpholine
CID 102937216
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-dimethylpyrimidin-2-amine
CID 102937271
[6-methyl-4-(2-methylsulfonylphenyl)morpholin-2-yl]methanol
CID 102935217

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine (CID 102937208) is 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine is CC1CN(c2ccccc2C(F)(F)F)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is BUOBYQXUQADPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO/c1-9-7-18(8-10(6-14)19-9)12-5-3-2-4-11(12)13(15,16)17/h2-5,9-10H,6-8H2,1H3.
What are the key properties of 2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine?
2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine has a molecular weight of 338.17 g/mol, XLogP of 3.69, 2 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-[2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 102937208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).