tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate

C15H22FNO2 — CID 64689516

IUPACtert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
SMILESCC(NC(C)c1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22FNO2/c1-10(12-6-8-13(16)9-7-12)17-11(2)14(18)19-15(3,4)5/h6-11,17H,1-5H3
InChIKeyUAOHTJDORMZYLG-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.21
Rot. Bonds4

About tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate

tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate (PubChem CID 64689516) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
PubChem CID64689516
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nametert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
SMILESCC(NC(C)c1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C15H22FNO2/c1-10(12-6-8-13(16)9-7-12)17-11(2)14(18)19-15(3,4)5/h6-11,17H,1-5H3
InChIKeyUAOHTJDORMZYLG-UHFFFAOYSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[1-(4-chlorophenyl)ethylamino]propanoate
CID 64686510
tert-butyl 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]propanoate
CID 81358939
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
tert-butyl N-[1-(4-fluorophenyl)ethyl]carbamate
CID 63787964
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
tert-butyl 2-[[(1S)-1-(3-bromophenyl)ethyl]amino]propanoate
CID 81375746
2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81347234
tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 174495539
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
tert-butyl 3-(4-fluorophenyl)-2-methyl-3-oxopropanoate
CID 66337972
2-amino-N-[1-(4-fluorophenyl)ethyl]-2-methylpropanamide
CID 61267029
tert-butyl (2R)-2-[(3-fluorobenzoyl)amino]propanoate
CID 81004313

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
The IUPAC name of tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate (CID 64689516) is tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
The canonical SMILES for tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate is CC(NC(C)c1ccc(F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
The InChIKey is UAOHTJDORMZYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-10(12-6-8-13(16)9-7-12)17-11(2)14(18)19-15(3,4)5/h6-11,17H,1-5H3.
What are the key properties of tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate?
tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate has a molecular weight of 267.34 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate is sourced from PubChem (CID 64689516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).