1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol

C12H18FNO3 — CID 107718953

IUPAC1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C12H18FNO3/c1-8(14)11-4-3-10(5-12(11)13)17-7-9(15)6-16-2/h3-5,8-9,15H,6-7,14H2,1-2H3/t8-,9?/m0/s1
InChIKeyZRQUIUUTLISSAE-IENPIDJESA-N
MW243.28 g/mol
LogP1.23
Rot. Bonds6

About 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol

1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol (PubChem CID 107718953) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
PubChem CID107718953
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COc1ccc([C@H](C)N)c(F)c1
InChIInChI=1S/C12H18FNO3/c1-8(14)11-4-3-10(5-12(11)13)17-7-9(15)6-16-2/h3-5,8-9,15H,6-7,14H2,1-2H3/t8-,9?/m0/s1
InChIKeyZRQUIUUTLISSAE-IENPIDJESA-N
XLogP1.23
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]ethanol
CID 107718833
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
2-[4-[(1R)-1-aminoethyl]-3-fluorophenoxy]-1-phenylethanol
CID 107718100
(1S)-1-[2-fluoro-4-(2-methylbutoxy)phenyl]ethanamine
CID 107718803
(1S)-1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethanamine
CID 107718696
1-[2-fluoro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 107715807
(1R)-1-[2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]phenyl]ethanamine
CID 107718203
1-[2-fluoro-4-(2-phenoxyethoxy)phenyl]ethanamine
CID 107716078
4-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-2-methylbutan-2-ol
CID 107718883
1-[4-[2-(dimethylamino)ethoxy]-2-fluorophenyl]ethanamine
CID 107716293
(1R)-1-(2-fluoro-4-hexoxyphenyl)ethanamine
CID 107718481
1-[3-(1-aminoethyl)phenoxy]-3-methoxypropan-2-ol
CID 63930638

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol (CID 107718953) is 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol is COCC(O)COc1ccc([C@H](C)N)c(F)c1.
What is the InChIKey of 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol?
The InChIKey is ZRQUIUUTLISSAE-IENPIDJESA-N. The full InChI is InChI=1S/C12H18FNO3/c1-8(14)11-4-3-10(5-12(11)13)17-7-9(15)6-16-2/h3-5,8-9,15H,6-7,14H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol?
1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol has a molecular weight of 243.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-aminoethyl]-3-fluorophenoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 107718953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).