4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline

C10H15FN2S — CID 43303811

IUPAC4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline
SMILESCN(C)CCSc1ccc(N)cc1F
InChIInChI=1S/C10H15FN2S/c1-13(2)5-6-14-10-4-3-8(12)7-9(10)11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyQKOFOQBORWLZQK-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.06
Rot. Bonds4

About 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline

4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline (PubChem CID 43303811) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline
PubChem CID43303811
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline
SMILESCN(C)CCSc1ccc(N)cc1F
InChIInChI=1S/C10H15FN2S/c1-13(2)5-6-14-10-4-3-8(12)7-9(10)11/h3-4,7H,5-6,12H2,1-2H3
InChIKeyQKOFOQBORWLZQK-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline?
The IUPAC name of 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline (CID 43303811) is 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline?
The canonical SMILES for 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline is CN(C)CCSc1ccc(N)cc1F.
What is the InChIKey of 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline?
The InChIKey is QKOFOQBORWLZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-13(2)5-6-14-10-4-3-8(12)7-9(10)11/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline?
4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline has a molecular weight of 214.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethylsulfanyl]-3-fluoroaniline is sourced from PubChem (CID 43303811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).