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

C12H10BrClFNS — CID 103048689

IUPAC1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C12H10BrClFNS/c13-12-4-3-11(17-12)10(16)6-7-5-8(14)1-2-9(7)15/h1-5,10H,6,16H2
InChIKeyCYRNOMHCTXYFEH-UHFFFAOYSA-N
MW334.64 g/mol
LogP4.55
Rot. Bonds3

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

1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine (PubChem CID 103048689) has the molecular formula C12H10BrClFNS and a molecular weight of 334.64 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
PubChem CID103048689
Molecular FormulaC12H10BrClFNS
Molecular Weight334.64 g/mol
Exact Mass332.94
IUPAC Name1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine
SMILESNC(Cc1cc(Cl)ccc1F)c1ccc(Br)s1
InChIInChI=1S/C12H10BrClFNS/c13-12-4-3-11(17-12)10(16)6-7-5-8(14)1-2-9(7)15/h1-5,10H,6,16H2
InChIKeyCYRNOMHCTXYFEH-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-(3-Chlorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3061996
1-(3-Bromothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103042959
2-(3-Chloro-4-fluorophenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 103042963
2-(3-chloro-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 103042978
N-[2-(3-chloro-4-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 103043000
N-[2-(3-chloro-4-fluorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethyl]propan-1-amine
CID 103043002
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043049
2-(3-Chloro-4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 103043075
2-(3-chloro-4-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanamine
CID 103043076
2-(3-Chloro-4-fluorophenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 103043077
2-(3-chloro-4-fluorophenyl)-1-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 103043341
2-(3-chloro-4-fluorophenyl)-1-(3-ethylthiophen-2-yl)-N-methylethanamine
CID 103043346

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine (CID 103048689) is 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine is NC(Cc1cc(Cl)ccc1F)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
The InChIKey is CYRNOMHCTXYFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFNS/c13-12-4-3-11(17-12)10(16)6-7-5-8(14)1-2-9(7)15/h1-5,10H,6,16H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine?
1-(5-bromothiophen-2-yl)-2-(5-chloro-2-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 1-(5-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethanamine is sourced from PubChem (CID 103048689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).