N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine

C10H14F3N3O — CID 55242565

IUPACN-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNCCOCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-2-1-4-15-9(8)16-5-7-17-6-3-14/h1-2,4H,3,5-7,14H2,(H,15,16)
InChIKeyYBOJEMOXLBJSOD-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.49
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine

N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 55242565) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID55242565
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNCCOCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)8-2-1-4-15-9(8)16-5-7-17-6-3-14/h1-2,4H,3,5-7,14H2,(H,15,16)
InChIKeyYBOJEMOXLBJSOD-UHFFFAOYSA-N
XLogP1.49
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine (CID 55242565) is N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine is NCCOCCNc1ncccc1C(F)(F)F.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YBOJEMOXLBJSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)8-2-1-4-15-9(8)16-5-7-17-6-3-14/h1-2,4H,3,5-7,14H2,(H,15,16).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 249.24 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 55242565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).