(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

C13H14ClN3 — CID 81366845

IUPAC(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-10(11-3-2-4-12(14)7-11)17-9-13-8-15-5-6-16-13/h2-8,10,17H,9H2,1H3/t10-/m0/s1
InChIKeyWWGOWERKYIDXRQ-JTQLQIEISA-N
MW247.73 g/mol
LogP2.98
Rot. Bonds4

About (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine

(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 81366845) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID81366845
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESC[C@H](NCc1cnccn1)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3/c1-10(11-3-2-4-12(14)7-11)17-9-13-8-15-5-6-16-13/h2-8,10,17H,9H2,1H3/t10-/m0/s1
InChIKeyWWGOWERKYIDXRQ-JTQLQIEISA-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

N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
(1S)-1-(3-chlorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 81366313
1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762166
(1R)-1-(3-chlorophenyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 81362448
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine (CID 81366845) is (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is C[C@H](NCc1cnccn1)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is WWGOWERKYIDXRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10(11-3-2-4-12(14)7-11)17-9-13-8-15-5-6-16-13/h2-8,10,17H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
(1S)-1-(3-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 (1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 81366845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).