1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine

C15H18N2S — CID 64648131

IUPAC1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESCc1ccc(C)c(C(N)CSc2ccccn2)c1
InChIInChI=1S/C15H18N2S/c1-11-6-7-12(2)13(9-11)14(16)10-18-15-5-3-4-8-17-15/h3-9,14H,10,16H2,1-2H3
InChIKeySCKSCLHMTVRZFJ-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.49
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine

1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine (PubChem CID 64648131) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
PubChem CID64648131
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESCc1ccc(C)c(C(N)CSc2ccccn2)c1
InChIInChI=1S/C15H18N2S/c1-11-6-7-12(2)13(9-11)14(16)10-18-15-5-3-4-8-17-15/h3-9,14H,10,16H2,1-2H3
InChIKeySCKSCLHMTVRZFJ-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethylphenyl)-2-pyridin-2-ylsulfanylethyl]propan-1-amine
CID 64647741
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
1-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649690
1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628452
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(2,5-dimethylphenyl)ethanamine
CID 64648005
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
1-(2,5-dimethylphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43859408
1-(2,5-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784313
1-(2,5-dimethylphenyl)-2-[(3-methylphenyl)methylsulfanyl]ethanamine
CID 64633802
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine
CID 64630643
2-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
CID 52562461

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine (CID 64648131) is 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine is Cc1ccc(C)c(C(N)CSc2ccccn2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine?
The InChIKey is SCKSCLHMTVRZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-6-7-12(2)13(9-11)14(16)10-18-15-5-3-4-8-17-15/h3-9,14H,10,16H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine?
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine has a molecular weight of 258.39 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine is sourced from PubChem (CID 64648131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).