1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine

C16H17BrClNS — CID 63537237

IUPAC1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine
SMILESCCC(N)C(Sc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C16H17BrClNS/c1-2-14(19)16(11-7-3-4-8-12(11)17)20-15-10-6-5-9-13(15)18/h3-10,14,16H,2,19H2,1H3
InChIKeyQIDMPXLJAZDCCD-UHFFFAOYSA-N
MW370.74 g/mol
LogP5.67
Rot. Bonds5

About 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine

1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine (PubChem CID 63537237) has the molecular formula C16H17BrClNS and a molecular weight of 370.74 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine
PubChem CID63537237
Molecular FormulaC16H17BrClNS
Molecular Weight370.74 g/mol
Exact Mass369.00
IUPAC Name1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine
SMILESCCC(N)C(Sc1ccccc1Cl)c1ccccc1Br
InChIInChI=1S/C16H17BrClNS/c1-2-14(19)16(11-7-3-4-8-12(11)17)20-15-10-6-5-9-13(15)18/h3-10,14,16H,2,19H2,1H3
InChIKeyQIDMPXLJAZDCCD-UHFFFAOYSA-N
XLogP5.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.74
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-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-chlorophenyl)-1-(2,5-dimethylphenyl)sulfanylbutan-2-amine
CID 63538245
1-(2-bromophenyl)-1-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]butan-2-amine
CID 106922077
1-(2-bromophenyl)-1-(2-methylsulfonylethylsulfanyl)butan-2-amine
CID 63658849
1-(2-bromophenyl)-1-(2,3-dichlorophenoxy)butan-2-amine
CID 63459898
1-(2-bromophenyl)-1-(oxan-4-ylsulfanyl)butan-2-amine
CID 62997494
1-(2-bromophenyl)sulfanyl-1-(4-bromothiophen-2-yl)butan-2-amine
CID 63537578
1-(2-bromophenyl)-1-(4-chloro-3-methylphenoxy)butan-2-amine
CID 63459343
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
1-(2-chlorophenyl)-1-cyclopentylsulfanylbutan-2-amine
CID 63115131
1-(2-bromophenyl)-1-(2,4-dichlorophenoxy)butan-2-amine
CID 63457464
1-(2-bromophenyl)-1-N,1-N-dipropylbutane-1,2-diamine
CID 63406143
1-(4-bromophenoxy)-1-(2-chlorophenyl)butan-2-amine
CID 63458294

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine (CID 63537237) is 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine is CCC(N)C(Sc1ccccc1Cl)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
The InChIKey is QIDMPXLJAZDCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNS/c1-2-14(19)16(11-7-3-4-8-12(11)17)20-15-10-6-5-9-13(15)18/h3-10,14,16H,2,19H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine?
1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine has a molecular weight of 370.74 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-chlorophenyl)sulfanylbutan-2-amine is sourced from PubChem (CID 63537237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).