ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate

C16H25FN2O2 — CID 114832099

IUPACethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1F)NCCN(C)C
InChIInChI=1S/C16H25FN2O2/c1-5-21-15(20)16(2,18-10-11-19(3)4)12-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3
InChIKeyCHHAAWOHIAQSAN-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.84
Rot. Bonds8

About ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate

ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate (PubChem CID 114832099) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
PubChem CID114832099
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(Cc1ccccc1F)NCCN(C)C
InChIInChI=1S/C16H25FN2O2/c1-5-21-15(20)16(2,18-10-11-19(3)4)12-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3
InChIKeyCHHAAWOHIAQSAN-UHFFFAOYSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate
CID 114832096
ethyl 4-(2-fluorophenyl)-3-hydroxy-2,2,3-trimethylbutanoate
CID 114834438
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001791
2-[2-(2-fluorophenyl)ethylamino]-2-methylbutanoic acid
CID 114994555
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 54895378
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831966
ethyl 2,2-difluoro-3-[(2-fluorophenyl)methylamino]-3-oxopropanoate
CID 112743058
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60559227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate (CID 114832099) is ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate is CCOC(=O)C(C)(Cc1ccccc1F)NCCN(C)C.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate?
The InChIKey is CHHAAWOHIAQSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-21-15(20)16(2,18-10-11-19(3)4)12-13-8-6-7-9-14(13)17/h6-9,18H,5,10-12H2,1-4H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate?
ethyl 2-[2-(dimethylamino)ethylamino]-3-(2-fluorophenyl)-2-methylpropanoate has a molecular weight of 296.39 g/mol, XLogP of 1.84, 8 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]-3-(2-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 114832099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).