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

C14H15BrFNS — CID 82809918

IUPAC1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-2-17-14(9-11-4-3-7-18-11)10-5-6-13(16)12(15)8-10/h3-8,14,17H,2,9H2,1H3
InChIKeyIJBRTAIJDVMDNP-UHFFFAOYSA-N
MW328.25 g/mol
LogP4.54
Rot. Bonds5

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

1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine (PubChem CID 82809918) has the molecular formula C14H15BrFNS and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
PubChem CID82809918
Molecular FormulaC14H15BrFNS
Molecular Weight328.25 g/mol
Exact Mass327.01
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
SMILESCCNC(Cc1cccs1)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H15BrFNS/c1-2-17-14(9-11-4-3-7-18-11)10-5-6-13(16)12(15)8-10/h3-8,14,17H,2,9H2,1H3
InChIKeyIJBRTAIJDVMDNP-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-(3-bromo-4-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 82809329
1-(3-bromo-5-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 113460855
1-(3-chloro-4-methylphenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63195285
N-ethyl-2-thiophen-2-yl-1-(2,3,4-trifluorophenyl)ethanamine
CID 55156959
1-(1,3-dihydro-2-benzofuran-5-yl)-N-ethyl-2-thiophen-2-ylethanamine
CID 63743167
1-(3-bromo-4-fluorophenyl)-2-(3-chlorophenyl)-N-ethylethanamine
CID 79747608
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine
CID 81453728
1-(4-bromo-3-fluorophenyl)-2-(4-bromothiophen-2-yl)-N-ethylethanamine
CID 115848019
N-ethyl-1,2-dithiophen-2-ylethanamine
CID 43755169
1-(3-bromo-4-fluorophenyl)-N,3-diethylpentan-1-amine
CID 82922197
N-ethyl-1-pyridin-3-yl-2-thiophen-2-ylethanamine
CID 61064807
1-(3-bromo-4-methylphenyl)-N-methyl-2-thiophen-2-ylethanamine
CID 81472047

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine (CID 82809918) is 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine is CCNC(Cc1cccs1)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
The InChIKey is IJBRTAIJDVMDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNS/c1-2-17-14(9-11-4-3-7-18-11)10-5-6-13(16)12(15)8-10/h3-8,14,17H,2,9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine?
1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-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 1-(3-bromo-4-fluorophenyl)-N-ethyl-2-thiophen-2-ylethanamine is sourced from PubChem (CID 82809918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).