2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide

C13H20FN3O — CID 103101337

IUPAC2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)C(c1ccccc1F)C(C)N
InChIInChI=1S/C13H20FN3O/c1-3-17(8-12(16)18)13(9(2)15)10-6-4-5-7-11(10)14/h4-7,9,13H,3,8,15H2,1-2H3,(H2,16,18)
InChIKeyWTYDJCISICNPPP-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.02
Rot. Bonds6

About 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide

2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide (PubChem CID 103101337) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
PubChem CID103101337
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide
SMILESCCN(CC(N)=O)C(c1ccccc1F)C(C)N
InChIInChI=1S/C13H20FN3O/c1-3-17(8-12(16)18)13(9(2)15)10-6-4-5-7-11(10)14/h4-7,9,13H,3,8,15H2,1-2H3,(H2,16,18)
InChIKeyWTYDJCISICNPPP-UHFFFAOYSA-N
XLogP1.02
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-amino-1-(2-bromophenyl)propyl]-ethylamino]acetamide
CID 103101294
3-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]propan-1-ol
CID 113468603
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 55019021
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylbutyl)propane-1,2-diamine
CID 79477287
2-[[2-amino-1-(2-chlorophenyl)propyl]-ethylamino]-N-methylacetamide
CID 55022365
1-N-ethyl-1-(2-fluorophenyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 55019022
2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922758
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 55019117
2-[(2-amino-2-oxoethyl)-[1-(2-hydroxyphenyl)ethyl]amino]acetamide
CID 82980145
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
1-(2-fluorophenyl)-1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79489988

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide?
The IUPAC name of 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide (CID 103101337) is 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide.
What is the SMILES notation for 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide?
The canonical SMILES for 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide is CCN(CC(N)=O)C(c1ccccc1F)C(C)N.
What is the InChIKey of 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide?
The InChIKey is WTYDJCISICNPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-3-17(8-12(16)18)13(9(2)15)10-6-4-5-7-11(10)14/h4-7,9,13H,3,8,15H2,1-2H3,(H2,16,18).
What are the key properties of 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide?
2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide has a molecular weight of 253.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-1-(2-fluorophenyl)propyl]-ethylamino]acetamide is sourced from PubChem (CID 103101337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).