2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol

C14H16BrNOS — CID 107167453

IUPAC2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
SMILESCC(NC(CO)c1ccccc1)c1cc(Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-10(14-7-12(15)9-18-14)16-13(8-17)11-5-3-2-4-6-11/h2-7,9-10,13,16-17H,8H2,1H3
InChIKeyGCUAPGFWHNCSBI-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.89
Rot. Bonds5

About 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol

2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol (PubChem CID 107167453) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol.

Molecular Properties

Compound Name2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
PubChem CID107167453
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol
SMILESCC(NC(CO)c1ccccc1)c1cc(Br)cs1
InChIInChI=1S/C14H16BrNOS/c1-10(14-7-12(15)9-18-14)16-13(8-17)11-5-3-2-4-6-11/h2-7,9-10,13,16-17H,8H2,1H3
InChIKeyGCUAPGFWHNCSBI-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-Phenyl-2-[(thiophen-2-ylmethyl)-amino]-ethanol
CID 2809735
2-[(3-Methyl-thiophen-2-ylmethyl)-amino]-1-phenyl-ethanol
CID 6473033
2-{[(3-Methyl-2-thienyl)methyl]amino}-1-phenylethanol
CID 4722461
2-{[(5-Methylthiophen-2-yl)methyl]amino}-1-phenylethanol
CID 4720463
(2R,3S)-3-amino-1-[[1-(5-bromothiophen-2-yl)cyclohexyl]amino]-4-(3,5-difluorophenyl)butan-2-ol
CID 58591319
(2R,3S)-3-amino-1-[[1-(4-bromothiophen-2-yl)cyclohexyl]amino]-4-(3,5-difluorophenyl)butan-2-ol
CID 58591350
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-(thiophen-2-ylmethylamino)butan-2-ol
CID 68608123
3-Amino-1-[[1-(5-bromothiophen-2-yl)cyclohexyl]amino]-4-(3,5-difluorophenyl)butan-2-ol
CID 69525435
3-Amino-1-[[1-(4-bromothiophen-2-yl)cyclohexyl]amino]-4-(3,5-difluorophenyl)butan-2-ol
CID 69525627
(2S)-1-[[1-(5-bromothiophen-2-yl)cyclohexyl]amino]-4-(3,5-difluorophenyl)butan-2-ol
CID 70332660
(2S)-1-[[1-(4-bromothiophen-2-yl)cyclohexyl]amino]-4-(3,5-difluorophenyl)butan-2-ol
CID 70333006
1-[[1-(5-Bromothiophen-2-yl)cyclohexyl]amino]-4-(3,5-difluorophenyl)butan-2-ol
CID 77826533

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol?
The IUPAC name of 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol (CID 107167453) is 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol.
What is the SMILES notation for 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol?
The canonical SMILES for 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol is CC(NC(CO)c1ccccc1)c1cc(Br)cs1.
What is the InChIKey of 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol?
The InChIKey is GCUAPGFWHNCSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-10(14-7-12(15)9-18-14)16-13(8-17)11-5-3-2-4-6-11/h2-7,9-10,13,16-17H,8H2,1H3.
What are the key properties of 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol?
2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol 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 2-[1-(4-bromothiophen-2-yl)ethylamino]-2-phenylethanol is sourced from PubChem (CID 107167453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).