2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine

C12H10BrClFNS — CID 55180820

IUPAC2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10BrClFNS/c13-12-4-2-8(17-12)6-11(16)7-1-3-10(15)9(14)5-7/h1-5,11H,6,16H2
InChIKeyHSORDKHAICBRNQ-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.55
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine (PubChem CID 55180820) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
PubChem CID55180820
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Br)s1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H10BrClFNS/c13-12-4-2-8(17-12)6-11(16)7-1-3-10(15)9(14)5-7/h1-5,11H,6,16H2
InChIKeyHSORDKHAICBRNQ-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
2-(5-bromothiophen-2-yl)-1-(2,4-dichlorophenyl)ethanamine
CID 115840906
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 63094668
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
2-amino-2-(3-chloro-4-fluorophenyl)ethanol
CID 3564183
1-(3-chloro-4-fluorophenyl)-2-naphthalen-1-ylethanamine
CID 63418657
(1S)-1-(3-chloro-4-fluorophenyl)-3-fluoropropan-1-amine
CID 131492690
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560
2-(4-bromo-2-fluorophenyl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491392
1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841235

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine (CID 55180820) is 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine is NC(Cc1ccc(Br)s1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine?
The InChIKey is HSORDKHAICBRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-12-4-2-8(17-12)6-11(16)7-1-3-10(15)9(14)5-7/h1-5,11H,6,16H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine has a molecular weight of 334.64 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine is sourced from PubChem (CID 55180820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).