1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine

C12H10BrCl2NS — CID 55148283

IUPAC1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrCl2NS/c13-12-4-3-11(17-12)10(16)6-7-1-2-8(14)9(15)5-7/h1-5,10H,6,16H2
InChIKeyUNRIGMBPEZWMKV-UHFFFAOYSA-N
MW351.10 g/mol
LogP5.06
Rot. Bonds3

About 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine

1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine (PubChem CID 55148283) has the molecular formula C12H10BrCl2NS and a molecular weight of 351.10 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
PubChem CID55148283
Molecular FormulaC12H10BrCl2NS
Molecular Weight351.10 g/mol
Exact Mass348.91
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1
InChIInChI=1S/C12H10BrCl2NS/c13-12-4-3-11(17-12)10(16)6-7-1-2-8(14)9(15)5-7/h1-5,10H,6,16H2
InChIKeyUNRIGMBPEZWMKV-UHFFFAOYSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.10
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine 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-2-yl)-2-(4-chlorophenyl)ethanamine
CID 61079625
1-(5-bromothiophen-2-yl)-2-(3-chlorophenyl)ethanamine
CID 62504605
[1-(5-bromothiophen-2-yl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105210762
2-bromo-3-chloro-5-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 80533591
1-(5-bromo-4-chlorothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 80531983
1-(4-bromo-3-chlorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81296108
1-(5-bromo-4-chlorothiophen-2-yl)-2-(4-bromophenyl)ethanamine
CID 80530877
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 63528654
2-(3,4-dichlorophenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 105136466
1-(4-bromophenyl)-3-(3,4-dichlorophenyl)propan-2-amine
CID 63411923
2,5-dibromo-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]thiophene
CID 55197767
1-(4-tert-butylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 63415791

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine (CID 55148283) is 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine is NC(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine?
The InChIKey is UNRIGMBPEZWMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2NS/c13-12-4-3-11(17-12)10(16)6-7-1-2-8(14)9(15)5-7/h1-5,10H,6,16H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine?
1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine has a molecular weight of 351.10 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanamine is sourced from PubChem (CID 55148283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).