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

C15H18N2O2S — CID 64647733

IUPAC1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2ccccn2)c1
InChIInChI=1S/C15H18N2O2S/c1-18-11-6-7-14(19-2)12(9-11)13(16)10-20-15-5-3-4-8-17-15/h3-9,13H,10,16H2,1-2H3
InChIKeyFBLJVDONDQOHIE-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.89
Rot. Bonds6

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

1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine (PubChem CID 64647733) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
PubChem CID64647733
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESCOc1ccc(OC)c(C(N)CSc2ccccn2)c1
InChIInChI=1S/C15H18N2O2S/c1-18-11-6-7-14(19-2)12(9-11)13(16)10-20-15-5-3-4-8-17-15/h3-9,13H,10,16H2,1-2H3
InChIKeyFBLJVDONDQOHIE-UHFFFAOYSA-N
XLogP2.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)sulfanylethanamine
CID 64621439
1-(2,5-dimethoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64628304
1-(2,5-dimethoxyphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 104604552
1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64627645
1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628426
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
1-(2,5-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 64627526
1-(2,5-dimethoxyphenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethanamine
CID 106927992
(2S)-1-(2-tert-butyl-4-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108841
1-(2,4-dimethoxyphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105145160

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine (CID 64647733) is 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine is COc1ccc(OC)c(C(N)CSc2ccccn2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
The InChIKey is FBLJVDONDQOHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-18-11-6-7-14(19-2)12(9-11)13(16)10-20-15-5-3-4-8-17-15/h3-9,13H,10,16H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine has a molecular weight of 290.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine is sourced from PubChem (CID 64647733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).