2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide

C16H25FN2O2 — CID 107700380

IUPAC2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(F)cc1CCN
InChIInChI=1S/C16H25FN2O2/c1-4-14(5-2)19-16(20)11(3)21-15-7-6-13(17)10-12(15)8-9-18/h6-7,10-11,14H,4-5,8-9,18H2,1-3H3,(H,19,20)
InChIKeyLUCDUPXAGXISMR-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.40
Rot. Bonds8

About 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide

2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide (PubChem CID 107700380) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
PubChem CID107700380
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc(F)cc1CCN
InChIInChI=1S/C16H25FN2O2/c1-4-14(5-2)19-16(20)11(3)21-15-7-6-13(17)10-12(15)8-9-18/h6-7,10-11,14H,4-5,8-9,18H2,1-3H3,(H,19,20)
InChIKeyLUCDUPXAGXISMR-UHFFFAOYSA-N
XLogP2.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 63367985
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 78934187
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-butan-2-ylpropanamide
CID 60905305
ethyl 2-[2-(2-aminoethyl)-4-fluorophenoxy]butanoate
CID 107700382
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-pentan-2-ylpropanamide
CID 63326228
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-[5-(aminomethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43122490
2-[2-(2-aminobutyl)-4-fluorophenoxy]-N-methylpropanamide
CID 107701346
2-[2-(aminomethyl)-4-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 107694652
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-propylpropanamide
CID 107698502
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide (CID 107700380) is 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc(F)cc1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is LUCDUPXAGXISMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-14(5-2)19-16(20)11(3)21-15-7-6-13(17)10-12(15)8-9-18/h6-7,10-11,14H,4-5,8-9,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide?
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 107700380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).