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

C14H15BrFNS — CID 63085065

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C14H15BrFNS/c1-2-17-13(9-14-11(15)7-8-18-14)10-5-3-4-6-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyGIWIFQUBDACKRN-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

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

2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine (PubChem CID 63085065) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
PubChem CID63085065
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1ccccc1F
InChIInChI=1S/C14H15BrFNS/c1-2-17-13(9-14-11(15)7-8-18-14)10-5-3-4-6-12(10)16/h3-8,13,17H,2,9H2,1H3
InChIKeyGIWIFQUBDACKRN-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

2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 81305467
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(3-bromothiophen-2-yl)-1-(5-chloro-2-methoxyphenyl)-N-ethylethanamine
CID 115849041
N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
1-(3-bromothiophen-2-yl)-3-(2,3-difluorophenyl)-N-ethylpropan-2-amine
CID 115849139
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine (CID 63085065) is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine is CCNC(Cc1sccc1Br)c1ccccc1F.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
The InChIKey is GIWIFQUBDACKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-17-13(9-14-11(15)7-8-18-14)10-5-3-4-6-12(10)16/h3-8,13,17H,2,9H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine?
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-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 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 63085065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).