1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine

C16H17Cl2NS — CID 107308753

IUPAC1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SCC(N)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2NS/c1-11-5-7-14(8-6-11)20-10-13(19)9-12-3-2-4-15(17)16(12)18/h2-8,13H,9-10,19H2,1H3
InChIKeyHGRDMJJRGQBONS-UHFFFAOYSA-N
MW326.29 g/mol
LogP4.96
Rot. Bonds5

About 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine

1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine (PubChem CID 107308753) has the molecular formula C16H17Cl2NS and a molecular weight of 326.29 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine
PubChem CID107308753
Molecular FormulaC16H17Cl2NS
Molecular Weight326.29 g/mol
Exact Mass325.05
IUPAC Name1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine
SMILESCc1ccc(SCC(N)Cc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H17Cl2NS/c1-11-5-7-14(8-6-11)20-10-13(19)9-12-3-2-4-15(17)16(12)18/h2-8,13H,9-10,19H2,1H3
InChIKeyHGRDMJJRGQBONS-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 107308754
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
1-(2,3-dichlorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 107308752
1-(2,3-dichlorophenyl)-3-methylsulfanylpropan-2-ol
CID 107308125
2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 107312036
1-(2,6-dichlorophenyl)-N-methyl-3-(4-methylphenyl)sulfanylpropan-2-amine
CID 66065012
1-(4-chlorophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-amine
CID 105374048
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
1-(2-chlorophenyl)sulfanyl-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 66139563
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
3-chloro-2-[2-(4-methylphenyl)sulfanylethylsulfanyl]aniline
CID 43304710
1-(4-chlorophenyl)sulfanyl-3-(2,6-difluorophenyl)propan-2-amine
CID 114932224

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine (CID 107308753) is 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine is Cc1ccc(SCC(N)Cc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
The InChIKey is HGRDMJJRGQBONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NS/c1-11-5-7-14(8-6-11)20-10-13(19)9-12-3-2-4-15(17)16(12)18/h2-8,13H,9-10,19H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine?
1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine has a molecular weight of 326.29 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-amine is sourced from PubChem (CID 107308753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).