3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine

C13H11F3N2 — CID 114072372

IUPAC3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine
SMILESFc1cc(F)c(NCCc2ccccc2)nc1F
InChIInChI=1S/C13H11F3N2/c14-10-8-11(15)13(18-12(10)16)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)
InChIKeyMILUKTDBHAOULO-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.15
Rot. Bonds4

About 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine

3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine (PubChem CID 114072372) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine
PubChem CID114072372
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine
SMILESFc1cc(F)c(NCCc2ccccc2)nc1F
InChIInChI=1S/C13H11F3N2/c14-10-8-11(15)13(18-12(10)16)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18)
InChIKeyMILUKTDBHAOULO-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': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trifluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130504829
4,6-dimethyl-2-(2-phenylethylamino)pyridine-3-carbonitrile
CID 32677882
2-N-benzyl-6-N-tert-butyl-3,5-difluoropyridine-2,6-diamine
CID 22121273
ethane;N-(2-phenylethyl)aniline
CID 91194556
5-fluoro-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 83712714
3,5-difluoro-4-methoxy-N-(2-phenylethyl)aniline
CID 142475732
6-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 115416444
2-N-(2-fluorophenyl)-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920090
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112920032
N-tert-butyl-3-[(3,5,6-trifluoro-2-pyridinyl)amino]propanamide
CID 114072681
3,5,6-trifluoro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 106013715
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine (CID 114072372) is 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine is Fc1cc(F)c(NCCc2ccccc2)nc1F.
What is the InChIKey of 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine?
The InChIKey is MILUKTDBHAOULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-10-8-11(15)13(18-12(10)16)17-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,17,18).
What are the key properties of 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine?
3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine 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 3,5,6-trifluoro-N-(2-phenylethyl)pyridin-2-amine is sourced from PubChem (CID 114072372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).