2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine

C14H15BrFNS — CID 55095736

IUPAC2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1ccsc1
InChIInChI=1S/C14H15BrFNS/c1-2-17-14(11-5-6-18-9-11)7-10-3-4-12(15)8-13(10)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyDIWHMYDTMIBVLJ-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

About 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine

2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine (PubChem CID 55095736) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
PubChem CID55095736
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1F)c1ccsc1
InChIInChI=1S/C14H15BrFNS/c1-2-17-14(11-5-6-18-9-11)7-10-3-4-12(15)8-13(10)16/h3-6,8-9,14,17H,2,7H2,1H3
InChIKeyDIWHMYDTMIBVLJ-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-(5-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 55095689
N-[2-(5-bromo-2-fluorophenyl)-1-thiophen-3-ylethyl]propan-1-amine
CID 63412592
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-fluorophenyl)ethanamine
CID 63414422
2-(4-bromo-2-fluorophenyl)-1-(3-chlorophenyl)-N-ethylethanamine
CID 63412537
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115844450
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
2-(4-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)-N-ethylethanamine
CID 115844705
2-(5-bromothiophen-2-yl)-N-ethyl-1-thiophen-3-ylethanamine
CID 62602638
1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 107974114
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
1-(6-bromonaphthalen-2-yl)-N-ethyl-2-thiophen-3-ylethanamine
CID 115354103

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine (CID 55095736) is 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine is CCNC(Cc1ccc(Br)cc1F)c1ccsc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
The InChIKey is DIWHMYDTMIBVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-17-14(11-5-6-18-9-11)7-10-3-4-12(15)8-13(10)16/h3-6,8-9,14,17H,2,7H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine?
2-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine 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-(4-bromo-2-fluorophenyl)-N-ethyl-1-thiophen-3-ylethanamine is sourced from PubChem (CID 55095736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).