(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine

C12H16BrNO — CID 92968507

IUPAC(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine
SMILESCN1CCO[C@@](C)(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyOYQNGONOBUSPLZ-GFCCVEGCSA-N
MW270.17 g/mol
LogP2.63
Rot. Bonds1

About (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine

(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine (PubChem CID 92968507) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine
PubChem CID92968507
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine
SMILESCN1CCO[C@@](C)(c2ccc(Br)cc2)C1
InChIInChI=1S/C12H16BrNO/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3/t12-/m1/s1
InChIKeyOYQNGONOBUSPLZ-GFCCVEGCSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-bromophenyl)-2,4-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

Bromodiphenhydramine
CID 2444
Embramine
CID 19105
Bromodiphenhydramine Hydrochloride
CID 519514
Bromadryl
CID 13059512
3-(4-Bromo-benzyloxy)-4-phenyl-piperidine
CID 44367995
2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
CID 6430941
Pyrrolidine, 1-(2-((4-bromophenyl)(4-fluorophenyl)methoxy)ethyl)-, hydrochloride
CID 3024525
Piperidine, 1-(beta-ethoxyphenethyl)-
CID 99794
2-[4-(4-Bromophenyl)phenyl]-4-methylmorpholin-2-ol
CID 25108301
3-(4-Bromo-phenyl)-1-morpholin-4-yl-hexan-3-ol
CID 6603534
4-{2-[Bis-(4-bromo-phenyl)-methoxy]-ethyl}-1-phenethyl-piperidine
CID 10530839
4-Ethyl-2-phenylmorpholine
CID 233190

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
The IUPAC name of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine (CID 92968507) is (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine is CN1CCO[C@@](C)(c2ccc(Br)cc2)C1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
The InChIKey is OYQNGONOBUSPLZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-12(9-14(2)7-8-15-12)10-3-5-11(13)6-4-10/h3-6H,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine?
(2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine has a molecular weight of 270.17 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-2,4-dimethylmorpholine is sourced from PubChem (CID 92968507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).