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

C14H16N2OS — CID 43299979

IUPAC4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
SMILESCc1ccc(OCCSc2ccncc2N)cc1
InChIInChI=1S/C14H16N2OS/c1-11-2-4-12(5-3-11)17-8-9-18-14-6-7-16-10-13(14)15/h2-7,10H,8-9,15H2,1H3
InChIKeyKSFAISUTJAFTSQ-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.14
Rot. Bonds5

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

4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine (PubChem CID 43299979) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
PubChem CID43299979
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
SMILESCc1ccc(OCCSc2ccncc2N)cc1
InChIInChI=1S/C14H16N2OS/c1-11-2-4-12(5-3-11)17-8-9-18-14-6-7-16-10-13(14)15/h2-7,10H,8-9,15H2,1H3
InChIKeyKSFAISUTJAFTSQ-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-ethoxyphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299772
4-[2-[(3-amino-4-pyridinyl)sulfanyl]ethoxy]benzoic acid
CID 61319257
4-(2-propoxyethylsulfanyl)pyridin-3-amine
CID 106453318
5-methyl-2-(2-phenoxyethylsulfanyl)aniline
CID 43302590
4-fluoro-2-[2-(4-methylphenoxy)ethylsulfanyl]aniline
CID 79144279
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
ethane;1-ethyl-2-[2-(4-methylphenoxy)ethylsulfanyl]benzene
CID 142267698
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029
1-methyl-4-(2-phenylsulfanylethoxy)benzene
CID 21280733
2-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]aniline
CID 79147343
2-[2-(4-methylphenoxy)ethylsulfanyl]propan-1-amine
CID 66217892
4-[5-[2-(4-methylphenoxy)ethylsulfanyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]pyridine
CID 126104250

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine (CID 43299979) is 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine is Cc1ccc(OCCSc2ccncc2N)cc1.
What is the InChIKey of 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine?
The InChIKey is KSFAISUTJAFTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-2-4-12(5-3-11)17-8-9-18-14-6-7-16-10-13(14)15/h2-7,10H,8-9,15H2,1H3.
What are the key properties of 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine?
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine has a molecular weight of 260.36 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43299979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).