methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate

C13H18F2N2O2 — CID 63667585

IUPACmethyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCOC(=O)C(NCCN(C)C)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-17(2)8-7-16-12(13(18)19-3)9-5-4-6-10(14)11(9)15/h4-6,12,16H,7-8H2,1-3H3
InChIKeyPECJCSNHRBKLRV-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.33
Rot. Bonds6

About methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate

methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate (PubChem CID 63667585) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
PubChem CID63667585
Molecular FormulaC13H18F2N2O2
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Namemethyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
SMILESCOC(=O)C(NCCN(C)C)c1cccc(F)c1F
InChIInChI=1S/C13H18F2N2O2/c1-17(2)8-7-16-12(13(18)19-3)9-5-4-6-10(14)11(9)15/h4-6,12,16H,7-8H2,1-3H3
InChIKeyPECJCSNHRBKLRV-UHFFFAOYSA-N
XLogP1.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
CID 115524534
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
methyl 3-(2,3-difluorophenyl)-2,3-dihydroxypropanoate
CID 171863644
N-[1-(2,3-difluorophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103924760
2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684905
methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584636
methyl 3-amino-3-(2,3-difluorophenyl)propanoate
CID 63668898
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
methyl 2-[3-(dimethylamino)propylamino]-2-(4-fluorophenyl)acetate
CID 82344957
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The IUPAC name of methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate (CID 63667585) is methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate.
What is the SMILES notation for methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The canonical SMILES for methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate is COC(=O)C(NCCN(C)C)c1cccc(F)c1F.
What is the InChIKey of methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate?
The InChIKey is PECJCSNHRBKLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-17(2)8-7-16-12(13(18)19-3)9-5-4-6-10(14)11(9)15/h4-6,12,16H,7-8H2,1-3H3.
What are the key properties of methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate?
methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate has a molecular weight of 272.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate is sourced from PubChem (CID 63667585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).