N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline

C17H18F3N3 — CID 91424909

IUPACN-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline
SMILESCCCNc1cc(C(F)(F)F)ccc1/N=C(\C)c1ccncc1
InChIInChI=1S/C17H18F3N3/c1-3-8-22-16-11-14(17(18,19)20)4-5-15(16)23-12(2)13-6-9-21-10-7-13/h4-7,9-11,22H,3,8H2,1-2H3/b23-12+
InChIKeyLMOSQJPILBGUOU-FSJBWODESA-N
MW321.35 g/mol
LogP5.06
Rot. Bonds5

About N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline

N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline (PubChem CID 91424909) has the molecular formula C17H18F3N3 and a molecular weight of 321.35 g/mol. Its IUPAC name is N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline
PubChem CID91424909
Molecular FormulaC17H18F3N3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC NameN-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline
SMILESCCCNc1cc(C(F)(F)F)ccc1/N=C(\C)c1ccncc1
InChIInChI=1S/C17H18F3N3/c1-3-8-22-16-11-14(17(18,19)20)4-5-15(16)23-12(2)13-6-9-21-10-7-13/h4-7,9-11,22H,3,8H2,1-2H3/b23-12+
InChIKeyLMOSQJPILBGUOU-FSJBWODESA-N
XLogP5.06
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.35
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline?
The IUPAC name of N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline (CID 91424909) is N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline?
The canonical SMILES for N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline is CCCNc1cc(C(F)(F)F)ccc1/N=C(\C)c1ccncc1.
What is the InChIKey of N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline?
The InChIKey is LMOSQJPILBGUOU-FSJBWODESA-N. The full InChI is InChI=1S/C17H18F3N3/c1-3-8-22-16-11-14(17(18,19)20)4-5-15(16)23-12(2)13-6-9-21-10-7-13/h4-7,9-11,22H,3,8H2,1-2H3/b23-12+.
What are the key properties of N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline?
N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline has a molecular weight of 321.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(1-pyridin-4-ylethylideneamino)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 91424909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).