2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide

C15H21FN2O2 — CID 107700484

IUPAC2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(F)cc1CCN)C1CC1
InChIInChI=1S/C15H21FN2O2/c1-2-18(13-4-5-13)15(19)10-20-14-6-3-12(16)9-11(14)7-8-17/h3,6,9,13H,2,4-5,7-8,10,17H2,1H3
InChIKeyPCBWWKIXVHAFMS-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.72
Rot. Bonds7

About 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide

2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide (PubChem CID 107700484) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
PubChem CID107700484
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide
SMILESCCN(C(=O)COc1ccc(F)cc1CCN)C1CC1
InChIInChI=1S/C15H21FN2O2/c1-2-18(13-4-5-13)15(19)10-20-14-6-3-12(16)9-11(14)7-8-17/h3,6,9,13H,2,4-5,7-8,10,17H2,1H3
InChIKeyPCBWWKIXVHAFMS-UHFFFAOYSA-N
XLogP1.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-methylacetamide
CID 107699900
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
CID 107700208
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488503
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488645
N-cyclopropyl-N-ethyl-2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]acetamide
CID 78932476
N-cyclopropyl-N-ethyl-2-(2-fluoro-5-methylphenoxy)acetamide
CID 64854538
2-[2-(aminomethyl)-5-chlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 114322280
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488291
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)phenoxy]acetamide
CID 60772880
N-cyclopropyl-N-ethyl-2-(3-fluorophenoxy)acetamide
CID 60729344
2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61487978
2-[2-(2-aminoethyl)-4,6-dichlorophenoxy]-N-cyclopropyl-N-ethylacetamide
CID 61488542

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide (CID 107700484) is 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide is CCN(C(=O)COc1ccc(F)cc1CCN)C1CC1.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide?
The InChIKey is PCBWWKIXVHAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-2-18(13-4-5-13)15(19)10-20-14-6-3-12(16)9-11(14)7-8-17/h3,6,9,13H,2,4-5,7-8,10,17H2,1H3.
What are the key properties of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide?
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide has a molecular weight of 280.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-cyclopropyl-N-ethylacetamide is sourced from PubChem (CID 107700484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).