1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine

C14H11BrCl2FNS — CID 106762672

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
SMILESNC(CSc1cccc(Cl)c1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H11BrCl2FNS/c15-11-5-4-10(14(18)13(11)17)12(19)7-20-9-3-1-2-8(16)6-9/h1-6,12H,7,19H2
InChIKeyWZJSZGUGVMETNA-UHFFFAOYSA-N
MW395.12 g/mol
LogP5.69
Rot. Bonds4

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine

1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine (PubChem CID 106762672) has the molecular formula C14H11BrCl2FNS and a molecular weight of 395.12 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
PubChem CID106762672
Molecular FormulaC14H11BrCl2FNS
Molecular Weight395.12 g/mol
Exact Mass392.92
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
SMILESNC(CSc1cccc(Cl)c1)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H11BrCl2FNS/c15-11-5-4-10(14(18)13(11)17)12(19)7-20-9-3-1-2-8(16)6-9/h1-6,12H,7,19H2
InChIKeyWZJSZGUGVMETNA-UHFFFAOYSA-N
XLogP5.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.12
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine 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

2-(3-chlorophenyl)sulfanyl-1-(2,4-difluorophenyl)ethanamine
CID 66148494
2-(3-bromophenyl)sulfanyl-1-(2,5-dichlorophenyl)ethanamine
CID 66159806
2-(3-chlorophenyl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 66147252
2-(3-bromophenyl)sulfanyl-1-(2,3-difluorophenyl)ethanamine
CID 66160984
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanamine
CID 106764407
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclohexylsulfanylethanamine
CID 106762589
1-(2-chlorophenyl)-2-(3-fluorophenyl)sulfanylethanamine
CID 66070856
1-(4-bromo-3-chloro-2-fluorophenyl)-4-phenylbutan-1-amine
CID 106764641
(4-bromo-3-chloro-2-fluorophenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848615
2-(3-chlorophenyl)sulfanyl-1-quinolin-8-ylethanamine
CID 81229147
2-(3-bromophenyl)sulfanyl-1-(2-fluorophenyl)ethanamine
CID 66160199
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(4-chlorophenoxy)ethanamine
CID 106764386

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine (CID 106762672) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine is NC(CSc1cccc(Cl)c1)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine?
The InChIKey is WZJSZGUGVMETNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNS/c15-11-5-4-10(14(18)13(11)17)12(19)7-20-9-3-1-2-8(16)6-9/h1-6,12H,7,19H2.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine has a molecular weight of 395.12 g/mol, XLogP of 5.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine is sourced from PubChem (CID 106762672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).