4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline

C15H24F2N2O — CID 63795204

IUPAC4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCOCCN(CC)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C15H24F2N2O/c1-4-19(6-7-20-5-2)15-13(16)9-12(8-11(3)18)10-14(15)17/h9-11H,4-8,18H2,1-3H3
InChIKeyNJAKHBQANQHQDE-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.72
Rot. Bonds8

About 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline

4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline (PubChem CID 63795204) has the molecular formula C15H24F2N2O and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
PubChem CID63795204
Molecular FormulaC15H24F2N2O
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline
SMILESCCOCCN(CC)c1c(F)cc(CC(C)N)cc1F
InChIInChI=1S/C15H24F2N2O/c1-4-19(6-7-20-5-2)15-13(16)9-12(8-11(3)18)10-14(15)17/h9-11H,4-8,18H2,1-3H3
InChIKeyNJAKHBQANQHQDE-UHFFFAOYSA-N
XLogP2.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The IUPAC name of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline (CID 63795204) is 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline.
What is the SMILES notation for 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The canonical SMILES for 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline is CCOCCN(CC)c1c(F)cc(CC(C)N)cc1F.
What is the InChIKey of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
The InChIKey is NJAKHBQANQHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O/c1-4-19(6-7-20-5-2)15-13(16)9-12(8-11(3)18)10-14(15)17/h9-11H,4-8,18H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline?
4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline has a molecular weight of 286.37 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N-(2-ethoxyethyl)-N-ethyl-2,6-difluoroaniline is sourced from PubChem (CID 63795204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).