1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

C14H14BrClFNS — CID 114906530

IUPAC1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrClFNS/c1-2-18-13(8-10-4-6-14(16)19-10)11-5-3-9(15)7-12(11)17/h3-7,13,18H,2,8H2,1H3
InChIKeyUCBNRUJSLTUFNM-UHFFFAOYSA-N
MW362.70 g/mol
LogP5.20
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine

1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (PubChem CID 114906530) has the molecular formula C14H14BrClFNS and a molecular weight of 362.70 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
PubChem CID114906530
Molecular FormulaC14H14BrClFNS
Molecular Weight362.70 g/mol
Exact Mass360.97
IUPAC Name1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrClFNS/c1-2-18-13(8-10-4-6-14(16)19-10)11-5-3-9(15)7-12(11)17/h3-7,13,18H,2,8H2,1H3
InChIKeyUCBNRUJSLTUFNM-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841770
1-(4-bromo-2-methoxyphenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 115841674
1-(2-bromo-4-chlorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107992590
1-(3-bromo-4-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 82809329
N-[1-(4-bromo-2-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841362
1-(3-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 107952692
1-(4-bromo-2-chlorophenyl)-2-(4-bromo-2-fluorophenyl)-N-ethylethanamine
CID 115844408
1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 106042044
N-[1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841679
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105037902
1-(4-bromo-2-fluorophenyl)-N-ethylbutan-1-amine
CID 114906558
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine (CID 114906530) is 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
The InChIKey is UCBNRUJSLTUFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFNS/c1-2-18-13(8-10-4-6-14(16)19-10)11-5-3-9(15)7-12(11)17/h3-7,13,18H,2,8H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine?
1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine has a molecular weight of 362.70 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 114906530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).