2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol

C12H11Br2NOS — CID 61346045

IUPAC2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol
SMILESOCC(Nc1ccc(Br)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H11Br2NOS/c13-8-1-3-9(4-2-8)15-10(7-16)11-5-6-12(14)17-11/h1-6,10,15-16H,7H2
InChIKeyAYAQMOAXSQOFPB-UHFFFAOYSA-N
MW377.10 g/mol
LogP4.42
Rot. Bonds4

About 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol

2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol (PubChem CID 61346045) has the molecular formula C12H11Br2NOS and a molecular weight of 377.10 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol
PubChem CID61346045
Molecular FormulaC12H11Br2NOS
Molecular Weight377.10 g/mol
Exact Mass374.89
IUPAC Name2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol
SMILESOCC(Nc1ccc(Br)cc1)c1ccc(Br)s1
InChIInChI=1S/C12H11Br2NOS/c13-8-1-3-9(4-2-8)15-10(7-16)11-5-6-12(14)17-11/h1-6,10,15-16H,7H2
InChIKeyAYAQMOAXSQOFPB-UHFFFAOYSA-N
XLogP4.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.10
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol
CID 61347760
2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346044
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
N-[(1R)-1-(5-bromothiophen-2-yl)propyl]hydroxylamine
CID 130715091
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
1-(5-bromothiophen-2-yl)propylhydrazine
CID 105222163
1-(5-bromothiophen-2-yl)-N-(3-chlorophenyl)ethane-1,2-diamine
CID 65385499
2-[4-[1-(5-bromothiophen-2-yl)ethylamino]phenyl]acetamide
CID 54898078
(2S)-2-[1-(5-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 104980461
2-(4-bromoanilino)-2-(2,5-dimethoxyphenyl)ethanol
CID 61048862

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol?
The IUPAC name of 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol (CID 61346045) is 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol is OCC(Nc1ccc(Br)cc1)c1ccc(Br)s1.
What is the InChIKey of 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol?
The InChIKey is AYAQMOAXSQOFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NOS/c13-8-1-3-9(4-2-8)15-10(7-16)11-5-6-12(14)17-11/h1-6,10,15-16H,7H2.
What are the key properties of 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol?
2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol has a molecular weight of 377.10 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol is sourced from PubChem (CID 61346045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).