(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine

C15H22BrNO2 — CID 888409

IUPAC(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESCc1cc(Br)ccc1OCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H22BrNO2/c1-11-8-14(16)4-5-15(11)18-7-6-17-9-12(2)19-13(3)10-17/h4-5,8,12-13H,6-7,9-10H2,1-3H3/t12-,13+
InChIKeyYFMRKJXMKKLHBB-BETUJISGSA-N
MW328.25 g/mol
LogP3.25
Rot. Bonds4

About (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine

(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine (PubChem CID 888409) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
PubChem CID888409
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESCc1cc(Br)ccc1OCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H22BrNO2/c1-11-8-14(16)4-5-15(11)18-7-6-17-9-12(2)19-13(3)10-17/h4-5,8,12-13H,6-7,9-10H2,1-3H3/t12-,13+
InChIKeyYFMRKJXMKKLHBB-BETUJISGSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6R)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888410
4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 2936182
4-[3-(4-bromo-2-chlorophenoxy)propyl]-2,6-dimethylmorpholine
CID 2935526
(3S,5S)-1-[3-(4-bromo-2-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184296
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(2R,6S)-2,6-dimethyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]morpholine
CID 887414
1-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
CID 2935375
4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 2935813
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperidine
CID 2299722
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194
(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394196

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine (CID 888409) is (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine is Cc1cc(Br)ccc1OCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
The InChIKey is YFMRKJXMKKLHBB-BETUJISGSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-11-8-14(16)4-5-15(11)18-7-6-17-9-12(2)19-13(3)10-17/h4-5,8,12-13H,6-7,9-10H2,1-3H3/t12-,13+.
What are the key properties of (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine?
(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine has a molecular weight of 328.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 888409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).