2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol

C13H13BrFNOS — CID 60743964

IUPAC2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C13H13BrFNOS/c14-13-6-5-9(18-13)7-16-8-12(17)10-3-1-2-4-11(10)15/h1-6,12,16-17H,7-8H2
InChIKeyUIVTXVKVYDFZAM-UHFFFAOYSA-N
MW330.22 g/mol
LogP3.47
Rot. Bonds5

About 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol

2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol (PubChem CID 60743964) has the molecular formula C13H13BrFNOS and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
PubChem CID60743964
Molecular FormulaC13H13BrFNOS
Molecular Weight330.22 g/mol
Exact Mass328.99
IUPAC Name2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol
SMILESOC(CNCc1ccc(Br)s1)c1ccccc1F
InChIInChI=1S/C13H13BrFNOS/c14-13-6-5-9(18-13)7-16-8-12(17)10-3-1-2-4-11(10)15/h1-6,12,16-17H,7-8H2
InChIKeyUIVTXVKVYDFZAM-UHFFFAOYSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-1-(2-fluorophenyl)propan-1-amine
CID 112632402
(2S)-3-[(5-bromothiophen-2-yl)methylamino]propane-1,2-diol
CID 61149712
1-amino-3-[(5-bromothiophen-2-yl)methylamino]propan-2-ol
CID 115121348
1-(5-bromothiophen-2-yl)-N-[(5-bromothiophen-2-yl)methyl]methanamine
CID 61011766
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
2-bromo-5-[3-bromo-2-(2-fluorophenyl)propyl]thiophene
CID 79454843
2-[2-(2,2-difluoroethoxy)ethylamino]-1-(2-fluorophenyl)ethanol
CID 114127447
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-1-(2-fluorophenyl)ethanol
CID 111778224
1-(2-fluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905547
5-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
CID 106131230
2-[(5-bromothiophen-2-yl)methylamino]-1-(4-nitrophenyl)ethanol
CID 78953766
4-[[[(2R)-2-(2-fluorophenyl)-2-hydroxyethyl]amino]methyl]benzonitrile
CID 93355701

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol (CID 60743964) is 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol is OC(CNCc1ccc(Br)s1)c1ccccc1F.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
The InChIKey is UIVTXVKVYDFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFNOS/c14-13-6-5-9(18-13)7-16-8-12(17)10-3-1-2-4-11(10)15/h1-6,12,16-17H,7-8H2.
What are the key properties of 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol?
2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol has a molecular weight of 330.22 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methylamino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 60743964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).