2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine

C13H11F3N2 — CID 62965496

IUPAC2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(Cc1ccncc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2/c14-10-2-1-9(12(15)13(10)16)11(17)7-8-3-5-18-6-4-8/h1-6,11H,7,17H2
InChIKeyUMZITLHVSSGLAY-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.74
Rot. Bonds3

About 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine

2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine (PubChem CID 62965496) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine
PubChem CID62965496
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine
SMILESNC(Cc1ccncc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2/c14-10-2-1-9(12(15)13(10)16)11(17)7-8-3-5-18-6-4-8/h1-6,11H,7,17H2
InChIKeyUMZITLHVSSGLAY-UHFFFAOYSA-N
XLogP2.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethylphenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 115803114
2-(5-bromo-3-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105036649
1-(2-chloro-3-fluorophenyl)-2-pyridin-4-ylethanamine
CID 81454296
1-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 62791571
2-(1-methylimidazol-2-yl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 105011303
(2R)-2-amino-2-(2,3,4-trifluorophenyl)ethanol;hydrochloride
CID 171225380
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromophenyl)ethanamine
CID 107538761
1-(2,3-difluorophenyl)-2-(4-ethylphenyl)ethanamine
CID 115803367
(1S)-3-fluoro-1-(2,3,4-trifluorophenyl)propan-1-amine;hydrochloride
CID 171225366
(1R)-1-(2,3,4-trifluorophenyl)pentan-1-amine;hydrochloride
CID 171205782
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
[1-(2,3-difluoro-4-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 107516356

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine?
The IUPAC name of 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine (CID 62965496) is 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine?
The canonical SMILES for 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine is NC(Cc1ccncc1)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine?
The InChIKey is UMZITLHVSSGLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-10-2-1-9(12(15)13(10)16)11(17)7-8-3-5-18-6-4-8/h1-6,11H,7,17H2.
What are the key properties of 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine?
2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine has a molecular weight of 252.24 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-1-(2,3,4-trifluorophenyl)ethanamine is sourced from PubChem (CID 62965496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).