methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate

C11H13BrFNO2 — CID 61067990

IUPACmethyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-14(7-11(15)16-2)6-8-3-4-10(13)9(12)5-8/h3-5H,6-7H2,1-2H3
InChIKeyGLSMPDWRPYDOMM-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate

methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate (PubChem CID 61067990) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
PubChem CID61067990
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Namemethyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1ccc(F)c(Br)c1
InChIInChI=1S/C11H13BrFNO2/c1-14(7-11(15)16-2)6-8-3-4-10(13)9(12)5-8/h3-5H,6-7H2,1-2H3
InChIKeyGLSMPDWRPYDOMM-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
methyl 2-[(4-fluoro-3-methylphenyl)methyl-methylamino]acetate
CID 115232926
ethyl 3-[(3-bromo-4-fluorophenyl)methyl-methylamino]propanoate
CID 62011631
2-[(3-bromo-4-fluorophenyl)methyl-methylamino]-N-cyclopropylacetamide
CID 54980387
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
methyl 2-[(3,4-dichlorophenyl)methyl-methylamino]acetate
CID 60670410
methyl 2-[(4-bromo-2-fluorophenyl)methyl-methylamino]acetate
CID 60670448
2-[(3-bromo-4-fluorophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 55246136
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 2-[(2,6-difluorophenyl)methyl-methylamino]acetate
CID 115880448
methyl 2-[(4-tert-butylphenyl)methyl-methylamino]acetate
CID 60670466
methyl 2-[(3,5-dimethylphenyl)methyl-methylamino]acetate
CID 60670382

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate?
The IUPAC name of methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate (CID 61067990) is methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate is COC(=O)CN(C)Cc1ccc(F)c(Br)c1.
What is the InChIKey of methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate?
The InChIKey is GLSMPDWRPYDOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-14(7-11(15)16-2)6-8-3-4-10(13)9(12)5-8/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate?
methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate has a molecular weight of 290.13 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromo-4-fluorophenyl)methyl-methylamino]acetate is sourced from PubChem (CID 61067990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).