1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine

C14H15BrFNS — CID 105095783

IUPAC1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1csc(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-2-17-13(11-8-14(15)18-9-11)7-10-4-3-5-12(16)6-10/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyIEJLVPFEEUXDEF-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine

1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine (PubChem CID 105095783) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
PubChem CID105095783
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)c1csc(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-2-17-13(11-8-14(15)18-9-11)7-10-4-3-5-12(16)6-10/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyIEJLVPFEEUXDEF-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
2-(2-bromo-3-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105172073
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
1-(5-bromothiophen-3-yl)-2-(3-fluorophenyl)ethanamine
CID 105095905
2-(3-bromo-5-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 79702815
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
3-[1-(ethylamino)-2-(3-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 105096089
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)ethanamine
CID 106878390
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine (CID 105095783) is 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine is CCNC(Cc1cccc(F)c1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
The InChIKey is IEJLVPFEEUXDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-17-13(11-8-14(15)18-9-11)7-10-4-3-5-12(16)6-10/h3-6,8-9,13,17H,2,7H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine?
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine has a molecular weight of 328.25 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 105095783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).