(2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine

C13H18BrNO — CID 15233126

IUPAC(2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2ccc(Br)cc2)C[C@@H](C)O1
InChIInChI=1S/C13H18BrNO/c1-10-7-15(8-11(2)16-10)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyDXFLVWNNYJNMTO-GHMZBOCLSA-N
MW284.20 g/mol
LogP3.06
Rot. Bonds2

About (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine

(2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine (PubChem CID 15233126) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
PubChem CID15233126
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC Name(2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine
SMILESC[C@@H]1CN(Cc2ccc(Br)cc2)C[C@@H](C)O1
InChIInChI=1S/C13H18BrNO/c1-10-7-15(8-11(2)16-10)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyDXFLVWNNYJNMTO-GHMZBOCLSA-N
XLogP3.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine 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

N-(4-bromobenzyl)-N-(tetrahydro-2-furanylmethyl)amine
CID 2958991
2-[(4-Bromophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 784350
2-(4-Bromo-phenyl)-1-morpholin-4-YL-ethanethione
CID 582517
1-(3-Bromobenzyl)piperidin-4-ol
CID 765218
4-(3-Bromobenzyl)morpholine
CID 783082
1-(4-Bromobenzyl)piperidine
CID 16495045
4-(4-Bromobenzyl)morpholine
CID 783503
2-[(3-Bromobenzyl)(propyl)amino]ethanol
CID 782380
2-[(4-Bromobenzyl)(propyl)amino]ethanol
CID 783142
N-(3-bromobenzyl)-3-(4-morpholinyl)-1-propanamine dihydrochloride
CID 16189528
2-[4-[[(4-Bromophenyl)methylamino]methyl]piperidin-1-yl]ethanol
CID 53561115
4-(2-Bromobenzyl)morpholine
CID 2845477

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine (CID 15233126) is (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine is C[C@@H]1CN(Cc2ccc(Br)cc2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
The InChIKey is DXFLVWNNYJNMTO-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-10-7-15(8-11(2)16-10)9-12-3-5-13(14)6-4-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine has a molecular weight of 284.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[(4-bromophenyl)methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 15233126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).