2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide

C14H19FN2O2 — CID 112615213

IUPAC2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1c(F)cccc1CCN)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-17(11-5-6-11)13(18)9-19-14-10(7-8-16)3-2-4-12(14)15/h2-4,11H,5-9,16H2,1H3
InChIKeySFEFJVUAPYEYSS-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide

2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide (PubChem CID 112615213) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
PubChem CID112615213
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)COc1c(F)cccc1CCN)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-17(11-5-6-11)13(18)9-19-14-10(7-8-16)3-2-4-12(14)15/h2-4,11H,5-9,16H2,1H3
InChIKeySFEFJVUAPYEYSS-UHFFFAOYSA-N
XLogP1.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-fluoro-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 115953467
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
N-cyclopropyl-2-[2,6-difluoro-4-(hydroxymethyl)phenoxy]-N-methylacetamide
CID 79888650
methyl 3-[2-(2-aminoethyl)-6-fluorophenoxy]propanoate
CID 112615251
3-amino-2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 107077203
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489590
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489248
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(3-methylbutyl)acetamide
CID 115957884
3-[2-(2-aminoethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112615263
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906019
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethyl-N-methylacetamide
CID 112615060
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide (CID 112615213) is 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide is CN(C(=O)COc1c(F)cccc1CCN)C1CC1.
What is the InChIKey of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide?
The InChIKey is SFEFJVUAPYEYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(11-5-6-11)13(18)9-19-14-10(7-8-16)3-2-4-12(14)15/h2-4,11H,5-9,16H2,1H3.
What are the key properties of 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide?
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide has a molecular weight of 266.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 112615213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).