4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine

C15H18N2O2S — CID 43299772

IUPAC4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
SMILESCCOc1ccc(OCCSc2ccncc2N)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-18-12-3-5-13(6-4-12)19-9-10-20-15-7-8-17-11-14(15)16/h3-8,11H,2,9-10,16H2,1H3
InChIKeyXSEMDIIHWCRDAQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.23
Rot. Bonds7

About 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine

4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine (PubChem CID 43299772) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
PubChem CID43299772
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
SMILESCCOc1ccc(OCCSc2ccncc2N)cc1
InChIInChI=1S/C15H18N2O2S/c1-2-18-12-3-5-13(6-4-12)19-9-10-20-15-7-8-17-11-14(15)16/h3-8,11H,2,9-10,16H2,1H3
InChIKeyXSEMDIIHWCRDAQ-UHFFFAOYSA-N
XLogP3.23
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
4-[2-[(3-amino-4-pyridinyl)sulfanyl]ethoxy]benzoic acid
CID 61319257
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-fluoroaniline
CID 43304030
4-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]aniline
CID 79525137
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43249992
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029
4-pent-3-ynylsulfanylpyridin-3-amine
CID 104808050
3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine (CID 43299772) is 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine is CCOc1ccc(OCCSc2ccncc2N)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine?
The InChIKey is XSEMDIIHWCRDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-2-18-12-3-5-13(6-4-12)19-9-10-20-15-7-8-17-11-14(15)16/h3-8,11H,2,9-10,16H2,1H3.
What are the key properties of 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine?
4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine has a molecular weight of 290.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43299772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).