2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine

C14H15Br2NS — CID 105089055

IUPAC2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1csc(Br)c1
InChIInChI=1S/C14H15Br2NS/c1-2-17-13(11-8-14(16)18-9-11)7-10-3-5-12(15)6-4-10/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyLBECKLSINSIWCS-UHFFFAOYSA-N
MW389.16 g/mol
LogP5.17
Rot. Bonds5

About 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine

2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine (PubChem CID 105089055) has the molecular formula C14H15Br2NS and a molecular weight of 389.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
PubChem CID105089055
Molecular FormulaC14H15Br2NS
Molecular Weight389.16 g/mol
Exact Mass386.93
IUPAC Name2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1csc(Br)c1
InChIInChI=1S/C14H15Br2NS/c1-2-17-13(11-8-14(16)18-9-11)7-10-3-5-12(15)6-4-10/h3-6,8-9,13,17H,2,7H2,1H3
InChIKeyLBECKLSINSIWCS-UHFFFAOYSA-N
XLogP5.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.16
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)-1-(5-bromothiophen-3-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-bromothiophen-3-yl)-N-ethyl-2-(4-nitrophenyl)ethanamine
CID 107962847
1-(5-bromothiophen-3-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103042985
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
2-(4-bromophenyl)-N-ethyl-1-thiophen-3-ylethanamine
CID 60818853
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
1-(3-bromophenyl)-2-(4-bromophenyl)-N-ethylethanamine
CID 60819896
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871
1-(4-bromophenyl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63411934
2-(4-bromophenyl)-1-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 63797423

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine (CID 105089055) is 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine is CCNC(Cc1ccc(Br)cc1)c1csc(Br)c1.
What is the InChIKey of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
The InChIKey is LBECKLSINSIWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NS/c1-2-17-13(11-8-14(16)18-9-11)7-10-3-5-12(15)6-4-10/h3-6,8-9,13,17H,2,7H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine?
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine has a molecular weight of 389.16 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 105089055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).