N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C14H14F3N3 — CID 60869456

IUPACN-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1ccccc1N
InChIInChI=1S/C14H14F3N3/c1-9(11-4-2-3-5-12(11)18)20-13-7-6-10(8-19-13)14(15,16)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyYLOJYJRZVKHGIO-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.86
Rot. Bonds3

About N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 60869456) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID60869456
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC NameN-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ccc(C(F)(F)F)cn1)c1ccccc1N
InChIInChI=1S/C14H14F3N3/c1-9(11-4-2-3-5-12(11)18)20-13-7-6-10(8-19-13)14(15,16)17/h2-9H,18H2,1H3,(H,19,20)
InChIKeyYLOJYJRZVKHGIO-UHFFFAOYSA-N
XLogP3.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.86
H-Bond Donors ≤ 52
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 N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 60869456) is N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ccc(C(F)(F)F)cn1)c1ccccc1N.
What is the InChIKey of N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YLOJYJRZVKHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9(11-4-2-3-5-12(11)18)20-13-7-6-10(8-19-13)14(15,16)17/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 281.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 60869456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).