2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide

C15H23FN2O2 — CID 63368153

IUPAC2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C15H23FN2O2/c1-5-9(2)18-15(19)11(4)20-14-8-12(16)6-7-13(14)10(3)17/h6-11H,5,17H2,1-4H3,(H,18,19)/t9?,10-,11?/m1/s1
InChIKeyQKVIAXVGZFCVTB-HSOILSAZSA-N
MW282.36 g/mol
LogP2.53
Rot. Bonds6

About 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide

2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide (PubChem CID 63368153) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
PubChem CID63368153
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)N
InChIInChI=1S/C15H23FN2O2/c1-5-9(2)18-15(19)11(4)20-14-8-12(16)6-7-13(14)10(3)17/h6-11H,5,17H2,1-4H3,(H,18,19)/t9?,10-,11?/m1/s1
InChIKeyQKVIAXVGZFCVTB-HSOILSAZSA-N
XLogP2.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.53
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-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxy-4-fluorobenzoic acid
CID 107014270
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-(2-methylpropyl)propanamide
CID 63368087
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-carbamoylpropanamide
CID 78935934
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 78934187
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-prop-2-ynylpropanamide
CID 63368172
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N,N-diethylpropanamide
CID 63065663
4-fluoro-2-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 107014203
2-[2-[(1R)-1-aminoethyl]phenoxy]-N-pentan-3-ylpropanamide
CID 63366990
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide (CID 63368153) is 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1cc(F)ccc1[C@@H](C)N.
What is the InChIKey of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide?
The InChIKey is QKVIAXVGZFCVTB-HSOILSAZSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-5-9(2)18-15(19)11(4)20-14-8-12(16)6-7-13(14)10(3)17/h6-11H,5,17H2,1-4H3,(H,18,19)/t9?,10-,11?/m1/s1.
What are the key properties of 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide?
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide has a molecular weight of 282.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-N-butan-2-ylpropanamide is sourced from PubChem (CID 63368153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).