1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol

C14H16BrNOS — CID 54938378

IUPAC1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
SMILESCC(NCC(O)c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H16BrNOS/c1-10(14-6-3-7-18-14)16-9-13(17)11-4-2-5-12(15)8-11/h2-8,10,13,16-17H,9H2,1H3
InChIKeyLULAJPZTTPAAES-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.89
Rot. Bonds5

About 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol

1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol (PubChem CID 54938378) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
PubChem CID54938378
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol
SMILESCC(NCC(O)c1cccc(Br)c1)c1cccs1
InChIInChI=1S/C14H16BrNOS/c1-10(14-6-3-7-18-14)16-9-13(17)11-4-2-5-12(15)8-11/h2-8,10,13,16-17H,9H2,1H3
InChIKeyLULAJPZTTPAAES-UHFFFAOYSA-N
XLogP3.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
N'-[1-(3-bromophenyl)ethyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 43094623
(1R)-1-(3-bromophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81372236
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
1-(3-bromophenyl)-2-[1-(furan-2-yl)ethylamino]ethanol
CID 54938857
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
1-(3-bromophenyl)-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398672
(2R)-1-[[(1R)-1-thiophen-2-ylethyl]amino]propan-2-ol
CID 93082161
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol (CID 54938378) is 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol is CC(NCC(O)c1cccc(Br)c1)c1cccs1.
What is the InChIKey of 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol?
The InChIKey is LULAJPZTTPAAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(14-6-3-7-18-14)16-9-13(17)11-4-2-5-12(15)8-11/h2-8,10,13,16-17H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol?
1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol has a molecular weight of 326.26 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(1-thiophen-2-ylethylamino)ethanol is sourced from PubChem (CID 54938378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).