methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate

C14H18BrNO3 — CID 79822600

IUPACmethyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H18BrNO3/c1-18-14(17)8-13-10-16(5-6-19-13)9-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-10H2,1H3
InChIKeyWPKMPIVGZLHXBA-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate

methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate (PubChem CID 79822600) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
PubChem CID79822600
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Namemethyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(Cc2cccc(Br)c2)CCO1
InChIInChI=1S/C14H18BrNO3/c1-18-14(17)8-13-10-16(5-6-19-13)9-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-10H2,1H3
InChIKeyWPKMPIVGZLHXBA-UHFFFAOYSA-N
XLogP2.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
methyl 2-[4-(1,2-oxazol-4-ylmethyl)morpholin-2-yl]acetate
CID 115537759
methyl 2-[(2S)-4-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)methyl]morpholin-2-yl]acetate
CID 99799285
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
methyl 2-[4-[(2,5-dimethylphenyl)methyl]morpholin-2-yl]acetate
CID 79822519
methyl 2-[4-[(3-bromo-2,6-difluorophenyl)methyl]morpholin-2-yl]acetate
CID 106270408
methyl 2-[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]morpholin-2-yl]acetate
CID 71861742
methyl 2-[4-[[4-(aminomethyl)-2-fluorophenyl]methyl]morpholin-2-yl]acetate
CID 115533910
methyl 2-[(2R)-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]morpholin-2-yl]acetate
CID 97159681
methyl 2-[4-[(4-cyano-2-methylphenyl)methyl]morpholin-2-yl]acetate
CID 114485245

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate (CID 79822600) is methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate is COC(=O)CC1CN(Cc2cccc(Br)c2)CCO1.
What is the InChIKey of methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate?
The InChIKey is WPKMPIVGZLHXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-18-14(17)8-13-10-16(5-6-19-13)9-11-3-2-4-12(15)7-11/h2-4,7,13H,5-6,8-10H2,1H3.
What are the key properties of methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate?
methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate has a molecular weight of 328.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3-bromophenyl)methyl]morpholin-2-yl]acetate is sourced from PubChem (CID 79822600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).