2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide

C16H25FN2O2 — CID 63367985

IUPAC2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C16H25FN2O2/c1-5-13(6-2)19-16(20)11(4)21-15-9-12(17)7-8-14(15)10(3)18/h7-11,13H,5-6,18H2,1-4H3,(H,19,20)/t10-,11?/m0/s1
InChIKeyLJIWUAUGCXGRQG-VUWPPUDQSA-N
MW296.39 g/mol
LogP2.92
Rot. Bonds7

About 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide

2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide (PubChem CID 63367985) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
PubChem CID63367985
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)Oc1cc(F)ccc1[C@H](C)N
InChIInChI=1S/C16H25FN2O2/c1-5-13(6-2)19-16(20)11(4)21-15-9-12(17)7-8-14(15)10(3)18/h7-11,13H,5-6,18H2,1-4H3,(H,19,20)/t10-,11?/m0/s1
InChIKeyLJIWUAUGCXGRQG-VUWPPUDQSA-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-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
CID 63368153
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 78934187
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 63368172
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107700380
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
CID 63065663
2-(4-fluorophenoxy)-N-pentan-3-ylpropanamide
CID 53282042
2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
2-(3-fluorophenoxy)-N-(1-hydroxybutan-2-yl)propanamide
CID 43417847

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide (CID 63367985) is 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)Oc1cc(F)ccc1[C@H](C)N.
What is the InChIKey of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide?
The InChIKey is LJIWUAUGCXGRQG-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-5-13(6-2)19-16(20)11(4)21-15-9-12(17)7-8-14(15)10(3)18/h7-11,13H,5-6,18H2,1-4H3,(H,19,20)/t10-,11?/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide?
2-[2-[(1S)-1-aminoethyl]-5-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-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 63367985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).