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

C16H25FN2O2 — CID 60994518

IUPACethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(NCCN(CC)CC)c1ccccc1F
InChIInChI=1S/C16H25FN2O2/c1-4-19(5-2)12-11-18-15(16(20)21-6-3)13-9-7-8-10-14(13)17/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeyHWYIUYAYFKCDEV-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.36
Rot. Bonds9

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

ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate (PubChem CID 60994518) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
PubChem CID60994518
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Nameethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
SMILESCCOC(=O)C(NCCN(CC)CC)c1ccccc1F
InChIInChI=1S/C16H25FN2O2/c1-4-19(5-2)12-11-18-15(16(20)21-6-3)13-9-7-8-10-14(13)17/h7-10,15,18H,4-6,11-12H2,1-3H3
InChIKeyHWYIUYAYFKCDEV-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate 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

ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
ethyl 2-(4-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60992471
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
2-(2-bromophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 54941562
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetonitrile
CID 54889234
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888
ethyl 2-[2-(diethylamino)ethylamino]-2-(3-methylimidazol-4-yl)acetate
CID 66117956

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
The IUPAC name of ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate (CID 60994518) is ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate is CCOC(=O)C(NCCN(CC)CC)c1ccccc1F.
What is the InChIKey of ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
The InChIKey is HWYIUYAYFKCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-19(5-2)12-11-18-15(16(20)21-6-3)13-9-7-8-10-14(13)17/h7-10,15,18H,4-6,11-12H2,1-3H3.
What are the key properties of ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate?
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate has a molecular weight of 296.39 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate is sourced from PubChem (CID 60994518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).