2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide

C12H17FN2O2 — CID 107718925

IUPAC2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-7(14)10-5-4-9(6-11(10)13)17-8(2)12(16)15-3/h4-8H,14H2,1-3H3,(H,15,16)/t7-,8?/m0/s1
InChIKeyUIDZXCDUPOSDJJ-JAMMHHFISA-N
MW240.28 g/mol
LogP1.36
Rot. Bonds4

About 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide (PubChem CID 107718925) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
PubChem CID107718925
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide
SMILESCNC(=O)C(C)Oc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C12H17FN2O2/c1-7(14)10-5-4-9(6-11(10)13)17-8(2)12(16)15-3/h4-8H,14H2,1-3H3,(H,15,16)/t7-,8?/m0/s1
InChIKeyUIDZXCDUPOSDJJ-JAMMHHFISA-N
XLogP1.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-pentan-3-ylpropanamide
CID 107718581
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methylbutyl)propanamide
CID 107718959
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-butylpropanamide
CID 107715865
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(ethylcarbamoyl)propanamide
CID 107718569
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-N-(3-methoxypropyl)propanamide
CID 107718364
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
2-[3-(1-aminoethyl)phenoxy]-N-methylpropanamide
CID 43116403
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
(2R)-N-methyl-2-naphthalen-2-yloxypropanamide
CID 42561231
(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
N-cyclopentyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719756

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide?
The IUPAC name of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide (CID 107718925) is 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide.
What is the SMILES notation for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide?
The canonical SMILES for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide is CNC(=O)C(C)Oc1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide?
The InChIKey is UIDZXCDUPOSDJJ-JAMMHHFISA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7(14)10-5-4-9(6-11(10)13)17-8(2)12(16)15-3/h4-8H,14H2,1-3H3,(H,15,16)/t7-,8?/m0/s1.
What are the key properties of 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide?
2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-N-methylpropanamide is sourced from PubChem (CID 107718925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).