1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine

C16H16Cl3NS — CID 114865883

IUPAC1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3NS/c1-2-13(20)8-10-7-11(17)4-6-15(10)21-16-9-12(18)3-5-14(16)19/h3-7,9,13H,2,8,20H2,1H3
InChIKeyGQCQTJGLUSNWID-UHFFFAOYSA-N
MW360.74 g/mol
LogP6.08
Rot. Bonds5

About 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine

1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine (PubChem CID 114865883) has the molecular formula C16H16Cl3NS and a molecular weight of 360.74 g/mol. Its IUPAC name is 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine.

Molecular Properties

Compound Name1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
PubChem CID114865883
Molecular FormulaC16H16Cl3NS
Molecular Weight360.74 g/mol
Exact Mass359.01
IUPAC Name1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
SMILESCCC(N)Cc1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl3NS/c1-2-13(20)8-10-7-11(17)4-6-15(10)21-16-9-12(18)3-5-14(16)19/h3-7,9,13H,2,8,20H2,1H3
InChIKeyGQCQTJGLUSNWID-UHFFFAOYSA-N
XLogP6.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.74
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 63817901
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866455
1-[5-chloro-2-[(2-chlorophenyl)methylsulfanyl]phenyl]butan-2-amine
CID 103290913
1-[2-(3-bromophenyl)sulfanyl-5-chlorophenyl]butan-2-amine
CID 114866330
1-(5-chloro-2-pyrimidin-4-ylsulfanylphenyl)butan-2-amine
CID 114866366
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114865881
5-chloro-2-(2,5-dichlorophenyl)sulfanylaniline
CID 29298573
1-[4-chloro-2-(3-chlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866298
1-[5-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]butan-2-amine
CID 114866131
1-(2,5-dichlorophenyl)-4-methylhexan-2-amine
CID 115863195
1-[4-chloro-2-(3-methylbutan-2-ylsulfanyl)phenyl]butan-2-amine
CID 107762391
1-[2-(4-bromophenyl)sulfanyl-4-chlorophenyl]butan-2-amine
CID 114866171

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine?
The IUPAC name of 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine (CID 114865883) is 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine.
What is the SMILES notation for 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine?
The canonical SMILES for 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine is CCC(N)Cc1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine?
The InChIKey is GQCQTJGLUSNWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3NS/c1-2-13(20)8-10-7-11(17)4-6-15(10)21-16-9-12(18)3-5-14(16)19/h3-7,9,13H,2,8,20H2,1H3.
What are the key properties of 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine?
1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine has a molecular weight of 360.74 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine is sourced from PubChem (CID 114865883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).