1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine

C14H16N2OS — CID 64649689

IUPAC1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESCOc1ccccc1C(N)CSc1ccccn1
InChIInChI=1S/C14H16N2OS/c1-17-13-7-3-2-6-11(13)12(15)10-18-14-8-4-5-9-16-14/h2-9,12H,10,15H2,1H3
InChIKeyBBLUTKKVOGMWGX-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.88
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine

1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine (PubChem CID 64649689) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
PubChem CID64649689
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
SMILESCOc1ccccc1C(N)CSc1ccccn1
InChIInChI=1S/C14H16N2OS/c1-17-13-7-3-2-6-11(13)12(15)10-18-14-8-4-5-9-16-14/h2-9,12H,10,15H2,1H3
InChIKeyBBLUTKKVOGMWGX-UHFFFAOYSA-N
XLogP2.88
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64627645
1-(2,5-dimethoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64647733
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628426
1-(2-methoxyphenyl)-2-pyridin-2-ylethanamine
CID 43118872
1-(4-tert-butylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649690
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-methoxy-3-pyridin-2-ylsulfanylpropan-2-amine
CID 107511293
(2S)-1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 42108825
1-(2,6-dimethoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842276
1-(2-methoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64647920

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
The IUPAC name of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine (CID 64649689) is 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine is COc1ccccc1C(N)CSc1ccccn1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
The InChIKey is BBLUTKKVOGMWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-17-13-7-3-2-6-11(13)12(15)10-18-14-8-4-5-9-16-14/h2-9,12H,10,15H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine?
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine has a molecular weight of 260.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine is sourced from PubChem (CID 64649689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).