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

C14H18BrNO4 — CID 99979862

IUPACmethyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@H](COc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrNO4/c1-18-14(17)9-16-6-7-19-13(8-16)10-20-12-4-2-11(15)3-5-12/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyVKCQXOHNTAEYAR-ZDUSSCGKSA-N
MW344.20 g/mol
LogP1.70
Rot. Bonds5

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

methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate (PubChem CID 99979862) has the molecular formula C14H18BrNO4 and a molecular weight of 344.20 g/mol. Its IUPAC name is methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
PubChem CID99979862
Molecular FormulaC14H18BrNO4
Molecular Weight344.20 g/mol
Exact Mass343.04
IUPAC Namemethyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate
SMILESCOC(=O)CN1CCO[C@H](COc2ccc(Br)cc2)C1
InChIInChI=1S/C14H18BrNO4/c1-18-14(17)9-16-6-7-19-13(8-16)10-20-12-4-2-11(15)3-5-12/h2-5,13H,6-10H2,1H3/t13-/m0/s1
InChIKeyVKCQXOHNTAEYAR-ZDUSSCGKSA-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-[(2R)-2-[(2-bromophenoxy)methyl]morpholin-4-yl]acetate
CID 99979761
ethyl 2-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567699
(2R)-2-[(4-bromophenoxy)methyl]-4-propylmorpholine
CID 99979881
methyl 2-[2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetate
CID 102567692
2-[(2S)-2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979640
ethyl 2-[(2R)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]acetate
CID 99979464
tert-butyl 2-[(4-bromophenoxy)methyl]morpholine-4-carboxylate
CID 102567737
2-[(2R)-2-[(3-bromophenoxy)methyl]morpholin-4-yl]acetamide
CID 99979824
ethyl 2-[(2S)-2-[(3,5-dimethylphenoxy)methyl]morpholin-4-yl]acetate
CID 99979655
methyl 3-oxo-3-[4-[[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methoxy]phenyl]propanoate
CID 3865004
methyl 3-[4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholin-2-yl]methoxy]phenyl]-3-oxopropanoate
CID 3678633
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate?
The IUPAC name of methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate (CID 99979862) is methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate is COC(=O)CN1CCO[C@H](COc2ccc(Br)cc2)C1.
What is the InChIKey of methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate?
The InChIKey is VKCQXOHNTAEYAR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-18-14(17)9-16-6-7-19-13(8-16)10-20-12-4-2-11(15)3-5-12/h2-5,13H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate?
methyl 2-[(2S)-2-[(4-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-[(2S)-2-[(4-bromophenoxy)methyl]morpholin-4-yl]acetate is sourced from PubChem (CID 99979862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).