(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

C13H14ClN3 — CID 81377262

IUPAC(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cnccn1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3/c1-10(12-4-2-3-5-13(12)14)17-9-11-8-15-6-7-16-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyAUSCMGUTDJRRHN-SNVBAGLBSA-N
MW247.73 g/mol
LogP2.98
Rot. Bonds4

About (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 81377262) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID81377262
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cnccn1)c1ccccc1Cl
InChIInChI=1S/C13H14ClN3/c1-10(12-4-2-3-5-13(12)14)17-9-11-8-15-6-7-16-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1
InChIKeyAUSCMGUTDJRRHN-SNVBAGLBSA-N
XLogP2.98
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-1-(2-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81377691
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797
1-(2-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 55139743
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 63011423
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
1-(1,5-dimethylpyrazol-4-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762184
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
1-(2-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 62997890

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (CID 81377262) is (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is C[C@@H](NCc1cnccn1)c1ccccc1Cl.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is AUSCMGUTDJRRHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10(12-4-2-3-5-13(12)14)17-9-11-8-15-6-7-16-11/h2-8,10,17H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 247.73 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81377262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).