2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine

C15H17ClN2S — CID 102924820

IUPAC2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
SMILESCc1cc(C)nc(SC(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2S/c1-10-7-11(2)18-15(8-10)19-14(9-17)12-3-5-13(16)6-4-12/h3-8,14H,9,17H2,1-2H3
InChIKeyLLOJWGMFUZKLEW-UHFFFAOYSA-N
MW292.84 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine

2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine (PubChem CID 102924820) has the molecular formula C15H17ClN2S and a molecular weight of 292.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
PubChem CID102924820
Molecular FormulaC15H17ClN2S
Molecular Weight292.84 g/mol
Exact Mass292.08
IUPAC Name2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine
SMILESCc1cc(C)nc(SC(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H17ClN2S/c1-10-7-11(2)18-15(8-10)19-14(9-17)12-3-5-13(16)6-4-12/h3-8,14H,9,17H2,1-2H3
InChIKeyLLOJWGMFUZKLEW-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.84
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine (CID 102924820) is 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine is Cc1cc(C)nc(SC(CN)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
The InChIKey is LLOJWGMFUZKLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c1-10-7-11(2)18-15(8-10)19-14(9-17)12-3-5-13(16)6-4-12/h3-8,14H,9,17H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine?
2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine has a molecular weight of 292.84 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]ethanamine is sourced from PubChem (CID 102924820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).