2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine

C20H19F2N3 — CID 167745368

IUPAC2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine
SMILESFc1ccc(C(CNCCc2cnccn2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H19F2N3/c21-17-5-1-15(2-6-17)20(16-3-7-18(22)8-4-16)14-23-10-9-19-13-24-11-12-25-19/h1-8,11-13,20,23H,9-10,14H2
InChIKeyLSBPEYIZDJECAC-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.72
Rot. Bonds7

About 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine

2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine (PubChem CID 167745368) has the molecular formula C20H19F2N3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine
PubChem CID167745368
Molecular FormulaC20H19F2N3
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine
SMILESFc1ccc(C(CNCCc2cnccn2)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H19F2N3/c21-17-5-1-15(2-6-17)20(16-3-7-18(22)8-4-16)14-23-10-9-19-13-24-11-12-25-19/h1-8,11-13,20,23H,9-10,14H2
InChIKeyLSBPEYIZDJECAC-UHFFFAOYSA-N
XLogP3.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762139
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
(2R)-2-(4-fluorophenyl)-2-piperidin-1-yl-N-(2-pyrazin-2-ylethyl)acetamide
CID 125166147
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
CID 81024221
2,2-difluoro-N-(pyrazin-2-ylmethyl)ethanamine
CID 115405977
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445
(2S)-2-(4-fluorophenyl)-2-hydroxy-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
CID 99974191
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 45195362
N-[2-[(2R)-2-(4-fluorophenyl)propyl]-6-(pyrazin-2-ylmethyl)-4-pyridinyl]pyrazin-2-amine
CID 58521777
1-[3-[(1R)-1-(4-fluorophenyl)ethyl]imidazol-4-yl]-4-pyrazin-2-ylbutan-1-one
CID 118230744
2-(3-chloro-3-phenylpropyl)pyrazine
CID 64508691

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine?
The IUPAC name of 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine (CID 167745368) is 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine?
The canonical SMILES for 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine is Fc1ccc(C(CNCCc2cnccn2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine?
The InChIKey is LSBPEYIZDJECAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3/c21-17-5-1-15(2-6-17)20(16-3-7-18(22)8-4-16)14-23-10-9-19-13-24-11-12-25-19/h1-8,11-13,20,23H,9-10,14H2.
What are the key properties of 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine?
2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine has a molecular weight of 339.39 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)-N-(2-pyrazin-2-ylethyl)ethanamine is sourced from PubChem (CID 167745368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).