2-[2-(2-aminoethoxy)ethylsulfanyl]aniline

C10H16N2OS — CID 103482660

IUPAC2-[2-(2-aminoethoxy)ethylsulfanyl]aniline
SMILESNCCOCCSc1ccccc1N
InChIInChI=1S/C10H16N2OS/c11-5-6-13-7-8-14-10-4-2-1-3-9(10)12/h1-4H,5-8,11-12H2
InChIKeyRSEQQVDTCSHAOU-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.34
Rot. Bonds6

About 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline

2-[2-(2-aminoethoxy)ethylsulfanyl]aniline (PubChem CID 103482660) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethylsulfanyl]aniline
PubChem CID103482660
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-[2-(2-aminoethoxy)ethylsulfanyl]aniline
SMILESNCCOCCSc1ccccc1N
InChIInChI=1S/C10H16N2OS/c11-5-6-13-7-8-14-10-4-2-1-3-9(10)12/h1-4H,5-8,11-12H2
InChIKeyRSEQQVDTCSHAOU-UHFFFAOYSA-N
XLogP1.34
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline?
The IUPAC name of 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline (CID 103482660) is 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline is NCCOCCSc1ccccc1N.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline?
The InChIKey is RSEQQVDTCSHAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c11-5-6-13-7-8-14-10-4-2-1-3-9(10)12/h1-4H,5-8,11-12H2.
What are the key properties of 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline?
2-[2-(2-aminoethoxy)ethylsulfanyl]aniline has a molecular weight of 212.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethylsulfanyl]aniline is sourced from PubChem (CID 103482660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).