5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine

C14H16N2OS — CID 43302059

IUPAC5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
SMILESCc1cccc(OCCSc2ccc(N)nc2)c1
InChIInChI=1S/C14H16N2OS/c1-11-3-2-4-12(9-11)17-7-8-18-13-5-6-14(15)16-10-13/h2-6,9-10H,7-8H2,1H3,(H2,15,16)
InChIKeyDRNSPINVCRTQRW-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.14
Rot. Bonds5

About 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine

5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine (PubChem CID 43302059) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
PubChem CID43302059
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine
SMILESCc1cccc(OCCSc2ccc(N)nc2)c1
InChIInChI=1S/C14H16N2OS/c1-11-3-2-4-12(9-11)17-7-8-18-13-5-6-14(15)16-10-13/h2-6,9-10H,7-8H2,1H3,(H2,15,16)
InChIKeyDRNSPINVCRTQRW-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

5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
CID 43301959
2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidine
CID 47095301
6-methyl-2-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-4-amine
CID 40663342
2-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]aniline
CID 79147343
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]pyridin-2-amine
CID 104563701
3-[2-(3-methylphenoxy)ethylsulfanyl]-5,6-diphenyl-1,2,4-triazine
CID 7842661
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
6-amino-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 62072454
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
3-[3-(3-methylphenyl)sulfanylpropoxy]aniline
CID 61243243
3-[3-(3-methylphenoxy)propylsulfanyl]pyrazin-2-amine
CID 106679289
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine (CID 43302059) is 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine is Cc1cccc(OCCSc2ccc(N)nc2)c1.
What is the InChIKey of 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine?
The InChIKey is DRNSPINVCRTQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-11-3-2-4-12(9-11)17-7-8-18-13-5-6-14(15)16-10-13/h2-6,9-10H,7-8H2,1H3,(H2,15,16).
What are the key properties of 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine?
5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-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 5-[2-(3-methylphenoxy)ethylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43302059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).