2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine

C13H12Cl2N2OS — CID 43300675

IUPAC2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2OS/c14-9-3-4-12(10(15)8-9)18-6-7-19-13-11(16)2-1-5-17-13/h1-5,8H,6-7,16H2
InChIKeyQCPCTXJFZDKVPA-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.14
Rot. Bonds5

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

2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine (PubChem CID 43300675) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
PubChem CID43300675
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine
SMILESNc1cccnc1SCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2N2OS/c14-9-3-4-12(10(15)8-9)18-6-7-19-13-11(16)2-1-5-17-13/h1-5,8H,6-7,16H2
InChIKeyQCPCTXJFZDKVPA-UHFFFAOYSA-N
XLogP4.14
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.14
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-(2,4-dichlorophenoxy)ethylsulfanyl]-2-fluoroaniline
CID 79141281
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43250190
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
4-chloro-2-[2-(2-chlorophenoxy)ethylsulfanyl]aniline
CID 79527874
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1H-1,2,4-triazole
CID 7784934
2-[3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]ethanamine
CID 65294256
4-chloro-2-(2-phenylsulfanylethoxy)aniline
CID 79211920
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-4-phenylimidazol-1-amine
CID 7225358
tris[2-(2,4-dichlorophenoxy)ethyl]azanium
CID 2317161
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
3-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 7273058
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43300706

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
The IUPAC name of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine (CID 43300675) is 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
The canonical SMILES for 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine is Nc1cccnc1SCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
The InChIKey is QCPCTXJFZDKVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c14-9-3-4-12(10(15)8-9)18-6-7-19-13-11(16)2-1-5-17-13/h1-5,8H,6-7,16H2.
What are the key properties of 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine?
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine has a molecular weight of 315.23 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).