2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide

C16H25FN2O2 — CID 107718581

IUPAC2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-12(6-2)19-16(20)11(4)21-13-7-8-14(10(3)18)15(17)9-13/h7-12H,5-6,18H2,1-4H3,(H,19,20)/t10-,11?/m1/s1
InChIKeyHLYQIFGSMYDGTF-NFJWQWPMSA-N
MW296.39 g/mol
LogP2.92
Rot. Bonds7

About 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide

2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide (PubChem CID 107718581) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
PubChem CID107718581
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1
InChIInChI=1S/C16H25FN2O2/c1-5-12(6-2)19-16(20)11(4)21-13-7-8-14(10(3)18)15(17)9-13/h7-12H,5-6,18H2,1-4H3,(H,19,20)/t10-,11?/m1/s1
InChIKeyHLYQIFGSMYDGTF-NFJWQWPMSA-N
XLogP2.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
CID 107718925
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 63367985
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-pentan-3-ylacetamide
CID 107716121
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63367662
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[3-fluoro-4-[(1S)-1-hydroxyethyl]phenoxy]-N-pentan-2-ylpropanamide
CID 107720399
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide (CID 107718581) is 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1ccc([C@@H](C)N)c(F)c1.
What is the InChIKey of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is HLYQIFGSMYDGTF-NFJWQWPMSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-12(6-2)19-16(20)11(4)21-13-7-8-14(10(3)18)15(17)9-13/h7-12H,5-6,18H2,1-4H3,(H,19,20)/t10-,11?/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide?
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide has a molecular weight of 296.39 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 107718581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).