1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine

C12H10Br2ClNS — CID 107945558

IUPAC1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(Br)cs1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H10Br2ClNS/c13-8-1-7(2-10(15)3-8)12(16)5-11-4-9(14)6-17-11/h1-4,6,12H,5,16H2
InChIKeyJUHUISIXQOPHRN-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.17
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine

1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine (PubChem CID 107945558) has the molecular formula C12H10Br2ClNS and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
PubChem CID107945558
Molecular FormulaC12H10Br2ClNS
Molecular Weight395.55 g/mol
Exact Mass392.86
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine
SMILESNC(Cc1cc(Br)cs1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H10Br2ClNS/c13-8-1-7(2-10(15)3-8)12(16)5-11-4-9(14)6-17-11/h1-4,6,12H,5,16H2
InChIKeyJUHUISIXQOPHRN-UHFFFAOYSA-N
XLogP5.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)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

3-amino-3-(3-bromo-5-chlorophenyl)propan-1-ol
CID 130002447
3-(4-bromothiophen-2-yl)-2-(4-chlorophenyl)propan-1-ol
CID 79437398
2-(4-bromothiophen-2-yl)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 62599879
(1R)-1-(3-bromo-5-chlorophenyl)butan-1-amine
CID 130706946
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-pyridinyl)ethanamine
CID 114019369
1-(3-bromo-5-chlorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 107945220
2-(4-bromothiophen-2-yl)-1-pyrimidin-2-ylethanamine
CID 62601265
2-(4-bromothiophen-2-yl)-1-(2-chloro-3-methylphenyl)ethanamine
CID 115847800
3-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]thiophene
CID 107957931
2-(4-bromothiophen-2-yl)-1-(2-methylfuran-3-yl)ethanamine
CID 104789820
1-(3-bromo-5-chlorophenyl)-3-methylpentan-1-amine
CID 107945539
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine (CID 107945558) is 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine is NC(Cc1cc(Br)cs1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
The InChIKey is JUHUISIXQOPHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2ClNS/c13-8-1-7(2-10(15)3-8)12(16)5-11-4-9(14)6-17-11/h1-4,6,12H,5,16H2.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine?
1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine has a molecular weight of 395.55 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-(4-bromothiophen-2-yl)ethanamine is sourced from PubChem (CID 107945558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).