1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

C15H19ClFNO2S — CID 138959134

IUPAC1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccccc1F)c1cccs1.Cl
InChIInChI=1S/C15H18FNO2S.ClH/c1-11(15-7-4-8-20-15)17-9-12(18)10-19-14-6-3-2-5-13(14)16;/h2-8,11-12,17-18H,9-10H2,1H3;1H
InChIKeyJACTZOZBEAGNPH-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.40
Rot. Bonds7

About 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride

1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (PubChem CID 138959134) has the molecular formula C15H19ClFNO2S and a molecular weight of 331.84 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
PubChem CID138959134
Molecular FormulaC15H19ClFNO2S
Molecular Weight331.84 g/mol
Exact Mass331.08
IUPAC Name1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
SMILESCC(NCC(O)COc1ccccc1F)c1cccs1.Cl
InChIInChI=1S/C15H18FNO2S.ClH/c1-11(15-7-4-8-20-15)17-9-12(18)10-19-14-6-3-2-5-13(14)16;/h2-8,11-12,17-18H,9-10H2,1H3;1H
InChIKeyJACTZOZBEAGNPH-UHFFFAOYSA-N
XLogP3.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408747
1-(2-butan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959141
1-(4-chloro-2-methylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959137
1-(2,6-dimethoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol
CID 138959128
1-[[cyclopentyl(thiophen-2-yl)methyl]amino]-3-(2-fluorophenoxy)propan-2-ol
CID 138961019
N-[2-(2-fluorophenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 60693945
1-(4-propan-2-ylphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959117
1-(2-tert-butyl-4-methoxyphenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride
CID 138959124
1-(1-thiophen-2-ylethylamino)-3-(2,4,6-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959112
1-(2-methylpropoxy)-3-[[(1S)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408465
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
1-(4-bromophenoxy)-3-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 81408393

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride (CID 138959134) is 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is CC(NCC(O)COc1ccccc1F)c1cccs1.Cl.
What is the InChIKey of 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
The InChIKey is JACTZOZBEAGNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2S.ClH/c1-11(15-7-4-8-20-15)17-9-12(18)10-19-14-6-3-2-5-13(14)16;/h2-8,11-12,17-18H,9-10H2,1H3;1H.
What are the key properties of 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride?
1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-(1-thiophen-2-ylethylamino)propan-2-ol;hydrochloride is sourced from PubChem (CID 138959134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).