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

C16H18ClNS — CID 63818585

IUPAC1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine
SMILESCc1ccc(Sc2cccc(Cl)c2CC(C)N)cc1
InChIInChI=1S/C16H18ClNS/c1-11-6-8-13(9-7-11)19-16-5-3-4-15(17)14(16)10-12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyRFLLDQNCCPXQCT-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.69
Rot. Bonds4

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

1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine (PubChem CID 63818585) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine
PubChem CID63818585
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine
SMILESCc1ccc(Sc2cccc(Cl)c2CC(C)N)cc1
InChIInChI=1S/C16H18ClNS/c1-11-6-8-13(9-7-11)19-16-5-3-4-15(17)14(16)10-12(2)18/h3-9,12H,10,18H2,1-2H3
InChIKeyRFLLDQNCCPXQCT-UHFFFAOYSA-N
XLogP4.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
[2-chloro-6-(4-methylphenyl)sulfanylphenyl]methanol
CID 55240222
1-[2-chloro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylphenyl]propan-2-amine
CID 65040999
1-(2-butan-2-ylsulfanyl-6-chlorophenyl)propan-2-amine
CID 63835456
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
3-[2-(2-aminopropyl)-3-chlorophenyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 63817987
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
2-[2-(4-tert-butylphenyl)sulfanyl-6-chlorophenyl]ethanamine
CID 63819658
1-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]propan-2-amine
CID 63815045
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-methylphenyl)sulfanylphenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine (CID 63818585) is 1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine is Cc1ccc(Sc2cccc(Cl)c2CC(C)N)cc1.
What is the InChIKey of 1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine?
The InChIKey is RFLLDQNCCPXQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-11-6-8-13(9-7-11)19-16-5-3-4-15(17)14(16)10-12(2)18/h3-9,12H,10,18H2,1-2H3.
What are the key properties of 1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine?
1-[2-chloro-6-(4-methylphenyl)sulfanylphenyl]propan-2-amine has a molecular weight of 291.85 g/mol, XLogP of 4.69, 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-methylphenyl)sulfanylphenyl]propan-2-amine is sourced from PubChem (CID 63818585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).