methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate

C14H20F2N2O2 — CID 61001791

IUPACmethyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
SMILESCOC(=O)C(C)(NCCN(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O2/c1-14(13(19)20-4,17-8-9-18(2)3)12-10(15)6-5-7-11(12)16/h5-7,17H,8-9H2,1-4H3
InChIKeyBRFWQMMHBJJISH-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.50
Rot. Bonds6

About methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate

methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate (PubChem CID 61001791) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
PubChem CID61001791
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Namemethyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
SMILESCOC(=O)C(C)(NCCN(C)C)c1c(F)cccc1F
InChIInChI=1S/C14H20F2N2O2/c1-14(13(19)20-4,17-8-9-18(2)3)12-10(15)6-5-7-11(12)16/h5-7,17H,8-9H2,1-4H3
InChIKeyBRFWQMMHBJJISH-UHFFFAOYSA-N
XLogP1.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
methyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832096
methyl 2-(2,4-dichloro-5-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001178
ethyl 2-(2,6-difluorophenyl)-2-(2-methoxyethylamino)propanoate
CID 62539749
methyl 2-(2-fluoro-6-methoxyphenyl)-2-(prop-2-enylamino)propanoate
CID 113388820
methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
CID 61002978
methyl 2-(2-fluorophenyl)-2-(propylamino)propanoate
CID 60796122
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
2-[3-(difluoromethoxy)phenyl]-2-[2-(dimethylamino)ethylamino]propanoic acid
CID 61001276
ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832099

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate?
The IUPAC name of methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate (CID 61001791) is methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate.
What is the SMILES notation for methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate?
The canonical SMILES for methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate is COC(=O)C(C)(NCCN(C)C)c1c(F)cccc1F.
What is the InChIKey of methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate?
The InChIKey is BRFWQMMHBJJISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-14(13(19)20-4,17-8-9-18(2)3)12-10(15)6-5-7-11(12)16/h5-7,17H,8-9H2,1-4H3.
What are the key properties of methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate?
methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate has a molecular weight of 286.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate is sourced from PubChem (CID 61001791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).