2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine

C14H10F5N — CID 134837754

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H10F5N/c15-10-9(11(16)13(18)14(19)12(10)17)8(6-20)7-4-2-1-3-5-7/h1-5,8H,6,20H2
InChIKeyIZLKZCBJQOFJNP-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.47
Rot. Bonds3

About 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine

2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine (PubChem CID 134837754) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine
PubChem CID134837754
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine
SMILESNCC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H10F5N/c15-10-9(11(16)13(18)14(19)12(10)17)8(6-20)7-4-2-1-3-5-7/h1-5,8H,6,20H2
InChIKeyIZLKZCBJQOFJNP-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine 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

Phenethylamine
CID 1001
Tranylcypromine
CID 5530
(1R,2S)-Tranylcypromine
CID 19493
2-Phenylpropylamine
CID 11398
Mofegiline
CID 6437850
(+)-Tranylcypromine
CID 26070
(+-)-p-Fluoroamphetamine
CID 9986
Phenethylamine, m-trifluoromethyl-
CID 104223
(1R)-2-phenylcyclopropan-1-amine
CID 441233
2,2-Diphenylethylamine
CID 77575
2-(2-Fluorophenyl)ethylamine
CID 643357
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine (CID 134837754) is 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine is NCC(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine?
The InChIKey is IZLKZCBJQOFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c15-10-9(11(16)13(18)14(19)12(10)17)8(6-20)7-4-2-1-3-5-7/h1-5,8H,6,20H2.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine?
2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanamine is sourced from PubChem (CID 134837754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).