(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

C13H14FN3 — CID 81348280

IUPAC(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cnccn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3/c1-10(11-2-4-12(14)5-3-11)17-9-13-8-15-6-7-16-13/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyPCYQZSPYQMIGKC-SNVBAGLBSA-N
MW231.27 g/mol
LogP2.47
Rot. Bonds4

About (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 81348280) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID81348280
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC Name(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cnccn1)c1ccc(F)cc1
InChIInChI=1S/C13H14FN3/c1-10(11-2-4-12(14)5-3-11)17-9-13-8-15-6-7-16-13/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyPCYQZSPYQMIGKC-SNVBAGLBSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762166
N-[1-(4-fluorophenyl)ethyl]pyrazin-2-amine
CID 60631879
(1S)-1-(4-fluorophenyl)-N-(1-pyrazin-2-ylethyl)ethanamine
CID 81347549
1-(4-fluorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61284818
(1S)-1-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81348318
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (CID 81348280) is (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is C[C@@H](NCc1cnccn1)c1ccc(F)cc1.
What is the InChIKey of (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is PCYQZSPYQMIGKC-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FN3/c1-10(11-2-4-12(14)5-3-11)17-9-13-8-15-6-7-16-13/h2-8,10,17H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 231.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81348280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).