1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine

C15H14BrCl2NS — CID 66057272

IUPAC1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Br)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2NS/c16-11-2-5-14(6-3-11)20-9-13(19)7-10-1-4-12(17)8-15(10)18/h1-6,8,13H,7,9,19H2
InChIKeyUUABAMQPYSGZKQ-UHFFFAOYSA-N
MW391.16 g/mol
LogP5.42
Rot. Bonds5

About 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine

1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine (PubChem CID 66057272) has the molecular formula C15H14BrCl2NS and a molecular weight of 391.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
PubChem CID66057272
Molecular FormulaC15H14BrCl2NS
Molecular Weight391.16 g/mol
Exact Mass388.94
IUPAC Name1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
SMILESNC(CSc1ccc(Br)cc1)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H14BrCl2NS/c16-11-2-5-14(6-3-11)20-9-13(19)7-10-1-4-12(17)8-15(10)18/h1-6,8,13H,7,9,19H2
InChIKeyUUABAMQPYSGZKQ-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.16
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine 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-(2-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine
CID 66143280
1-(4-bromophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66056883
1-(5-bromo-2-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-amine
CID 63412312
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097361
1-(4-chlorophenyl)sulfanyl-3-(2,4-difluorophenyl)propan-2-amine
CID 66145347
1-(3,5-dibromophenyl)-2-(2,4-dichlorophenyl)ethanamine
CID 107974357
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1-[2-(4-bromophenyl)sulfanyl-4-chlorophenyl]butan-2-amine
CID 114866171
1-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143977
2-amino-3-(2,4-dichlorophenyl)propan-1-ol
CID 22285002
1-(5-bromothiophen-2-yl)-3-(4-chlorophenyl)sulfanylpropan-2-amine
CID 66143598
1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
CID 66054706

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine (CID 66057272) is 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine is NC(CSc1ccc(Br)cc1)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine?
The InChIKey is UUABAMQPYSGZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NS/c16-11-2-5-14(6-3-11)20-9-13(19)7-10-1-4-12(17)8-15(10)18/h1-6,8,13H,7,9,19H2.
What are the key properties of 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine?
1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine has a molecular weight of 391.16 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfanyl-3-(2,4-dichlorophenyl)propan-2-amine is sourced from PubChem (CID 66057272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).