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

C13H14BrNOS — CID 61347760

IUPAC2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(CO)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H14BrNOS/c1-9-2-7-13(17-9)12(8-16)15-11-5-3-10(14)4-6-11/h2-7,12,15-16H,8H2,1H3
InChIKeyLIKXMWBQEHTSLB-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.96
Rot. Bonds4

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

2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol (PubChem CID 61347760) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol
PubChem CID61347760
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol
SMILESCc1ccc(C(CO)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C13H14BrNOS/c1-9-2-7-13(17-9)12(8-16)15-11-5-3-10(14)4-6-11/h2-7,12,15-16H,8H2,1H3
InChIKeyLIKXMWBQEHTSLB-UHFFFAOYSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-2-(5-bromothiophen-2-yl)ethanol
CID 61346045
N-(3-bromo-5-methylphenyl)-1-(5-methylthiophen-2-yl)ethane-1,2-diamine
CID 107582817
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981
2-(cyclopentylamino)-2-(5-methylthiophen-2-yl)ethanol
CID 61345205
2-(4-bromoanilino)-2-(3-bromophenyl)ethanol
CID 61047660
(2S)-2-(5-methylthiophen-2-yl)propan-1-ol
CID 23660060
2-(3-bromoanilino)-2-(4-bromo-5-methylthiophen-2-yl)ethanol
CID 102843406
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
2-amino-2-(5-methylthiophen-2-yl)ethanol
CID 56828532
(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81360088
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol?
The IUPAC name of 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol (CID 61347760) is 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol?
The canonical SMILES for 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol is Cc1ccc(C(CO)Nc2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol?
The InChIKey is LIKXMWBQEHTSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-9-2-7-13(17-9)12(8-16)15-11-5-3-10(14)4-6-11/h2-7,12,15-16H,8H2,1H3.
What are the key properties of 2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol?
2-(4-bromoanilino)-2-(5-methylthiophen-2-yl)ethanol has a molecular weight of 312.23 g/mol, XLogP of 3.96, 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-methylthiophen-2-yl)ethanol is sourced from PubChem (CID 61347760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).