2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline

C13H11F3N2 — CID 63265128

IUPAC2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
SMILESFc1cc(F)c(NCCc2cccnc2)cc1F
InChIInChI=1S/C13H11F3N2/c14-10-6-12(16)13(7-11(10)15)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8,18H,3,5H2
InChIKeySELYIZVEJWXEOO-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.15
Rot. Bonds4

About 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline

2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline (PubChem CID 63265128) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline.

Molecular Properties

Compound Name2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
PubChem CID63265128
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline
SMILESFc1cc(F)c(NCCc2cccnc2)cc1F
InChIInChI=1S/C13H11F3N2/c14-10-6-12(16)13(7-11(10)15)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8,18H,3,5H2
InChIKeySELYIZVEJWXEOO-UHFFFAOYSA-N
XLogP3.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2,4-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 102853347
4-bromo-2-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169012
2,6-difluoro-N-(2-pyridin-3-ylethyl)aniline
CID 55169588
3-chloro-4-fluoro-N-(2-pyridin-3-ylethyl)aniline
CID 83107487
2-iodo-N-(2-pyridin-3-ylethyl)aniline
CID 63264504
3,4-dichloro-N-(2-pyridin-3-ylethyl)aniline
CID 63265162
2-chloro-1-N-(2-pyridin-3-ylethyl)benzene-1,4-diamine
CID 55026530
2-(difluoromethylsulfanyl)-N-(2-pyridin-3-ylethyl)aniline
CID 63264817
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
2-chloro-4-methyl-N-(2-pyridin-3-ylethyl)aniline
CID 63265079
2,4,5-trifluoro-N-(3-phenylpropyl)aniline
CID 55118204
2-fluoro-4-(2-pyridin-3-ylethylamino)benzenecarbothioamide
CID 115367976

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline?
The IUPAC name of 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline (CID 63265128) is 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline.
What is the SMILES notation for 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline?
The canonical SMILES for 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline is Fc1cc(F)c(NCCc2cccnc2)cc1F.
What is the InChIKey of 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline?
The InChIKey is SELYIZVEJWXEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-10-6-12(16)13(7-11(10)15)18-5-3-9-2-1-4-17-8-9/h1-2,4,6-8,18H,3,5H2.
What are the key properties of 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline?
2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline has a molecular weight of 252.24 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-N-(2-pyridin-3-ylethyl)aniline is sourced from PubChem (CID 63265128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).