N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine

C15H13ClF3N3 — CID 46799583

IUPACN-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC/C(=N\Nc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3N3/c1-2-13(10-4-3-5-12(16)8-10)21-22-14-7-6-11(9-20-14)15(17,18)19/h3-9H,2H2,1H3,(H,20,22)/b21-13+
InChIKeyKXXRZHWMLABZOO-FYJGNVAPSA-N
MW327.74 g/mol
LogP4.98
Rot. Bonds4

About N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine

N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 46799583) has the molecular formula C15H13ClF3N3 and a molecular weight of 327.74 g/mol. Its IUPAC name is N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID46799583
Molecular FormulaC15H13ClF3N3
Molecular Weight327.74 g/mol
Exact Mass327.08
IUPAC NameN-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC/C(=N\Nc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1
InChIInChI=1S/C15H13ClF3N3/c1-2-13(10-4-3-5-12(16)8-10)21-22-14-7-6-11(9-20-14)15(17,18)19/h3-9H,2H2,1H3,(H,20,22)/b21-13+
InChIKeyKXXRZHWMLABZOO-FYJGNVAPSA-N
XLogP4.98
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.74
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine (CID 46799583) is N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine is CC/C(=N\Nc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1.
What is the InChIKey of N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KXXRZHWMLABZOO-FYJGNVAPSA-N. The full InChI is InChI=1S/C15H13ClF3N3/c1-2-13(10-4-3-5-12(16)8-10)21-22-14-7-6-11(9-20-14)15(17,18)19/h3-9H,2H2,1H3,(H,20,22)/b21-13+.
What are the key properties of N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine?
N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 327.74 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3-chlorophenyl)propylideneamino]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 46799583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).