2-[amino(ethyl)amino]-5-fluoroaniline

C8H12FN3 — CID 134239399

IUPAC2-[amino(ethyl)amino]-5-fluoroaniline
SMILESCCN(N)c1ccc(F)cc1N
InChIInChI=1S/C8H12FN3/c1-2-12(11)8-4-3-6(9)5-7(8)10/h3-5H,2,10-11H2,1H3
InChIKeyPJPSYFRXTVAYKE-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.11
Rot. Bonds2

About 2-[amino(ethyl)amino]-5-fluoroaniline

2-[amino(ethyl)amino]-5-fluoroaniline (PubChem CID 134239399) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-[amino(ethyl)amino]-5-fluoroaniline.

Molecular Properties

Compound Name2-[amino(ethyl)amino]-5-fluoroaniline
PubChem CID134239399
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name2-[amino(ethyl)amino]-5-fluoroaniline
SMILESCCN(N)c1ccc(F)cc1N
InChIInChI=1S/C8H12FN3/c1-2-12(11)8-4-3-6(9)5-7(8)10/h3-5H,2,10-11H2,1H3
InChIKeyPJPSYFRXTVAYKE-UHFFFAOYSA-N
XLogP1.11
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(ethyl)amino]-5-fluoroaniline?
The IUPAC name of 2-[amino(ethyl)amino]-5-fluoroaniline (CID 134239399) is 2-[amino(ethyl)amino]-5-fluoroaniline.
What is the SMILES notation for 2-[amino(ethyl)amino]-5-fluoroaniline?
The canonical SMILES for 2-[amino(ethyl)amino]-5-fluoroaniline is CCN(N)c1ccc(F)cc1N.
What is the InChIKey of 2-[amino(ethyl)amino]-5-fluoroaniline?
The InChIKey is PJPSYFRXTVAYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-2-12(11)8-4-3-6(9)5-7(8)10/h3-5H,2,10-11H2,1H3.
What are the key properties of 2-[amino(ethyl)amino]-5-fluoroaniline?
2-[amino(ethyl)amino]-5-fluoroaniline has a molecular weight of 169.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(ethyl)amino]-5-fluoroaniline is sourced from PubChem (CID 134239399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).