1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine

C15H14Cl3NS — CID 114865881

IUPAC1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NS/c1-9(19)6-10-2-3-11(16)7-14(10)20-15-8-12(17)4-5-13(15)18/h2-5,7-9H,6,19H2,1H3
InChIKeyVKIQOGURHSTQGB-UHFFFAOYSA-N
MW346.71 g/mol
LogP5.69
Rot. Bonds4

About 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine

1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine (PubChem CID 114865881) has the molecular formula C15H14Cl3NS and a molecular weight of 346.71 g/mol. Its IUPAC name is 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
PubChem CID114865881
Molecular FormulaC15H14Cl3NS
Molecular Weight346.71 g/mol
Exact Mass344.99
IUPAC Name1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1ccc(Cl)cc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C15H14Cl3NS/c1-9(19)6-10-2-3-11(16)7-14(10)20-15-8-12(17)4-5-13(15)18/h2-5,7-9H,6,19H2,1H3
InChIKeyVKIQOGURHSTQGB-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 ≤ 500346.71
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]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-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]propan-2-amine
CID 114866451
1-[2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 63817901
1-(4-chloro-2-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 114866356
1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114865883
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
1-(4-chloro-2-iodophenyl)propan-2-amine
CID 130001695
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
[2-(2,5-dichlorophenyl)sulfanyl-4-methoxyphenyl]methanamine
CID 81303475
(1S)-1-[3-chloro-4-(2,5-dichlorophenyl)sulfanylphenyl]ethanamine
CID 78944427
1-[4-chloro-2-(3,4-dichlorophenyl)sulfanylphenyl]butan-2-amine
CID 114866455
1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
CID 114866129
2-[(2S)-2-aminopropyl]-5-chlorobenzonitrile
CID 131218490

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine (CID 114865881) is 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine is CC(N)Cc1ccc(Cl)cc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine?
The InChIKey is VKIQOGURHSTQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3NS/c1-9(19)6-10-2-3-11(16)7-14(10)20-15-8-12(17)4-5-13(15)18/h2-5,7-9H,6,19H2,1H3.
What are the key properties of 1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine?
1-[4-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine has a molecular weight of 346.71 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-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 114865881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).