methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate

C14H18BrNO4 — CID 99979761

IUPACmethyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@@H](COc2ccccc2Br)C1
InChIInChI=1S/C14H18BrNO4/c1-18-14(17)9-16-6-7-19-11(8-16)10-20-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyZTBJVQOMMCBNIG-LLVKDONJSA-N
MW344.20 g/mol
LogP1.70
Rot. Bonds5

About methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate

methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate (PubChem CID 99979761) has the molecular formula C14H18BrNO4 and a molecular weight of 344.20 g/mol. Its IUPAC name is methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
PubChem CID99979761
Molecular FormulaC14H18BrNO4
Molecular Weight344.20 g/mol
Exact Mass343.04
IUPAC Namemethyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@@H](COc2ccccc2Br)C1
InChIInChI=1S/C14H18BrNO4/c1-18-14(17)9-16-6-7-19-11(8-16)10-20-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3/t11-/m1/s1
InChIKeyZTBJVQOMMCBNIG-LLVKDONJSA-N
XLogP1.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.20
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
(2R)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154192
(2S)-2-[(2-bromophenoxy)methyl]-4-ethylmorpholine
CID 97154191
methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979862
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
tert-butyl 2-[(2-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567725
ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567699
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
methyl 2-[3-[(2-iodophenoxy)methyl]piperidin-1-yl]acetate
CID 165429412

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate?
The IUPAC name of methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate (CID 99979761) is methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate is COC(=O)CN1CCO[C@@H](COc2ccccc2Br)C1.
What is the InChIKey of methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate?
The InChIKey is ZTBJVQOMMCBNIG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-18-14(17)9-16-6-7-19-11(8-16)10-20-13-5-3-2-4-12(13)15/h2-5,11H,6-10H2,1H3/t11-/m1/s1.
What are the key properties of methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate?
methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate has a molecular weight of 344.20 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate is sourced from PubChem (CID 99979761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).