methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate

C14H20F2N2O2 — CID 115524534

IUPACmethyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
SMILESCOC(=O)C(NCCN(C)C)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-18(2)9-8-17-12(14(19)20-3)10-4-6-11(7-5-10)13(15)16/h4-7,12-13,17H,8-9H2,1-3H3
InChIKeyJPGKUBZRTYNEGD-UHFFFAOYSA-N
MW286.32 g/mol
LogP1.99
Rot. Bonds7

About methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate

methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate (PubChem CID 115524534) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
PubChem CID115524534
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Namemethyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate
SMILESCOC(=O)C(NCCN(C)C)c1ccc(C(F)F)cc1
InChIInChI=1S/C14H20F2N2O2/c1-18(2)9-8-17-12(14(19)20-3)10-4-6-11(7-5-10)13(15)16/h4-7,12-13,17H,8-9H2,1-3H3
InChIKeyJPGKUBZRTYNEGD-UHFFFAOYSA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(dimethylamino)propylamino]-2-(4-fluorophenyl)acetate
CID 82344957
methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 63667585
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
methyl 2-[2-(dimethylamino)ethylamino]-2-(3-ethoxyphenyl)acetate
CID 61001176
ethyl 2-[4-(difluoromethyl)phenyl]-2-(ethylamino)acetate
CID 113328429
methyl 2-(2-methoxyethylamino)-2-(4-methylphenyl)acetate
CID 55084780
methyl 2-(4-ethylphenyl)-2-(propylamino)acetate
CID 60795755
2-[2-(dimethylamino)ethylamino]-2-(3-fluoro-4-hydroxyphenyl)acetamide
CID 107686188
methyl 2-[4-(difluoromethyl)phenyl]-3-hydroxypropanoate
CID 168947878
2-(3-bromo-4-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61037179
methyl 2-[2-(dimethylamino)ethylamino]-2-(1,5-dimethylpyrazol-4-yl)acetate
CID 79584636
2-[2-(dimethylamino)ethylamino]-2-(3,4,5-trifluorophenyl)acetamide
CID 63076271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate?
The IUPAC name of methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate (CID 115524534) is methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate.
What is the SMILES notation for methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate?
The canonical SMILES for methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate is COC(=O)C(NCCN(C)C)c1ccc(C(F)F)cc1.
What is the InChIKey of methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate?
The InChIKey is JPGKUBZRTYNEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-18(2)9-8-17-12(14(19)20-3)10-4-6-11(7-5-10)13(15)16/h4-7,12-13,17H,8-9H2,1-3H3.
What are the key properties of methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate?
methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate has a molecular weight of 286.32 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(difluoromethyl)phenyl]-2-[2-(dimethylamino)ethylamino]acetate is sourced from PubChem (CID 115524534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).