1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine

C15H15Cl2NS — CID 63819430

IUPAC1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NS/c1-10(18)9-13-14(17)3-2-4-15(13)19-12-7-5-11(16)6-8-12/h2-8,10H,9,18H2,1H3
InChIKeyMEPXMMOWZLZCME-UHFFFAOYSA-N
MW312.27 g/mol
LogP5.03
Rot. Bonds4

About 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine

1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine (PubChem CID 63819430) has the molecular formula C15H15Cl2NS and a molecular weight of 312.27 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
PubChem CID63819430
Molecular FormulaC15H15Cl2NS
Molecular Weight312.27 g/mol
Exact Mass311.03
IUPAC Name1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1Sc1ccc(Cl)cc1
InChIInChI=1S/C15H15Cl2NS/c1-10(18)9-13-14(17)3-2-4-15(13)19-12-7-5-11(16)6-8-12/h2-8,10H,9,18H2,1H3
InChIKeyMEPXMMOWZLZCME-UHFFFAOYSA-N
XLogP5.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.27
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818585
1-(2-butan-2-ylsulfanyl-6-chlorophenyl)propan-2-amine
CID 63835456
1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 65040999
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
2-[2-(4-tert-butylphenyl)sulfanyl-6-chlorophenyl]ethanamine
CID 63819658
3-[2-(2-aminopropyl)-3-chlorophenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63817987
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
[2-chloro-6-(4-methylphenyl)sulfanylphenyl]methanol
CID 55240222
1-(4-chlorophenyl)propan-2-amine
CID 3127
1-[5-(4-chlorophenyl)sulfanylfuran-2-yl]propan-2-amine
CID 170865114
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 63820479

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine (CID 63819430) is 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine is CC(N)Cc1c(Cl)cccc1Sc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine?
The InChIKey is MEPXMMOWZLZCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NS/c1-10(18)9-13-14(17)3-2-4-15(13)19-12-7-5-11(16)6-8-12/h2-8,10H,9,18H2,1H3.
What are the key properties of 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine?
1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine has a molecular weight of 312.27 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 63819430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).