2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine

C16H18ClNS — CID 63820479

IUPAC2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
SMILESCc1ccc(Sc2cccc(Cl)c2CCN)cc1C
InChIInChI=1S/C16H18ClNS/c1-11-6-7-13(10-12(11)2)19-16-5-3-4-15(17)14(16)8-9-18/h3-7,10H,8-9,18H2,1-2H3
InChIKeyAULSLSFUGNOPTL-UHFFFAOYSA-N
MW291.85 g/mol
LogP4.61
Rot. Bonds4

About 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine

2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine (PubChem CID 63820479) has the molecular formula C16H18ClNS and a molecular weight of 291.85 g/mol. Its IUPAC name is 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
PubChem CID63820479
Molecular FormulaC16H18ClNS
Molecular Weight291.85 g/mol
Exact Mass291.08
IUPAC Name2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
SMILESCc1ccc(Sc2cccc(Cl)c2CCN)cc1C
InChIInChI=1S/C16H18ClNS/c1-11-6-7-13(10-12(11)2)19-16-5-3-4-15(17)14(16)8-9-18/h3-7,10H,8-9,18H2,1-2H3
InChIKeyAULSLSFUGNOPTL-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-tert-butylphenyl)sulfanyl-6-chlorophenyl]ethanamine
CID 63819658
2-chloro-6-(3,4-dimethylphenyl)sulfanylaniline
CID 113458839
2-[4-chloro-2-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine
CID 114866036
2-[2-chloro-6-(2-fluorophenyl)sulfanylphenyl]ethanamine
CID 63819614
2-(2-chloro-6-methylphenyl)ethanamine
CID 84731855
2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
CID 63835994
[2-(3,4-dimethylphenyl)sulfanylphenyl]methanamine
CID 43528946
2-(2-chloro-6-thiophen-2-ylsulfanylphenyl)ethanamine
CID 63836065
1-[2-chloro-6-(4-chlorophenyl)sulfanylphenyl]propan-2-amine
CID 63819430
(1R)-1-[2-(3,4-dimethylphenyl)sulfanylphenyl]propan-1-amine
CID 103959494
[2-chloro-6-(3-methylphenyl)sulfanylphenyl]methanol
CID 63835095
[2-chloro-6-(4-methylphenyl)sulfanylphenyl]methanol
CID 55240222

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine?
The IUPAC name of 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine (CID 63820479) is 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine.
What is the SMILES notation for 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine?
The canonical SMILES for 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine is Cc1ccc(Sc2cccc(Cl)c2CCN)cc1C.
What is the InChIKey of 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine?
The InChIKey is AULSLSFUGNOPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNS/c1-11-6-7-13(10-12(11)2)19-16-5-3-4-15(17)14(16)8-9-18/h3-7,10H,8-9,18H2,1-2H3.
What are the key properties of 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine?
2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine has a molecular weight of 291.85 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(3,4-dimethylphenyl)sulfanylphenyl]ethanamine is sourced from PubChem (CID 63820479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).