ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate

C14H21FN2O2 — CID 54895378

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(NCCN(C)C)c1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-4-19-14(18)13(16-9-10-17(2)3)11-7-5-6-8-12(11)15/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyVWPFDSGEKCGZOG-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.58
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate

ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate (PubChem CID 54895378) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
PubChem CID54895378
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(NCCN(C)C)c1ccccc1F
InChIInChI=1S/C14H21FN2O2/c1-4-19-14(18)13(16-9-10-17(2)3)11-7-5-6-8-12(11)15/h5-8,13,16H,4,9-10H2,1-3H3
InChIKeyVWPFDSGEKCGZOG-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888
methyl 2-(2,3-difluorophenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 63667585
ethyl 2-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylacetate
CID 61347720
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
2-[2-(dimethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684905
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
ethyl 2-(2-chloro-6-methoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 104816553
ethyl 2-anilino-2-(2,3-difluorophenyl)acetate
CID 63668266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate (CID 54895378) is ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate is CCOC(=O)C(NCCN(C)C)c1ccccc1F.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
The InChIKey is VWPFDSGEKCGZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-19-14(18)13(16-9-10-17(2)3)11-7-5-6-8-12(11)15/h5-8,13,16H,4,9-10H2,1-3H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate has a molecular weight of 268.33 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 54895378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).