1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine

C14H17N3 — CID 63011423

IUPAC1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
SMILESCC(Cc1ccccc1)NCc1cnccn1
InChIInChI=1S/C14H17N3/c1-12(9-13-5-3-2-4-6-13)17-11-14-10-15-7-8-16-14/h2-8,10,12,17H,9,11H2,1H3
InChIKeyBVDOMAOAUBYEIK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.20
Rot. Bonds5

About 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine

1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine (PubChem CID 63011423) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
PubChem CID63011423
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine
SMILESCC(Cc1ccccc1)NCc1cnccn1
InChIInChI=1S/C14H17N3/c1-12(9-13-5-3-2-4-6-13)17-11-14-10-15-7-8-16-14/h2-8,10,12,17H,9,11H2,1H3
InChIKeyBVDOMAOAUBYEIK-UHFFFAOYSA-N
XLogP2.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761626
(2R)-N-benzyl-1-pyridin-2-ylpropan-2-amine
CID 125422187
N-[(2-methoxyphenyl)methyl]-1-pyrazin-2-ylpropan-2-amine
CID 131963860
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
N-(pyrazin-2-ylmethyl)-1-pyrazol-1-ylpropan-2-amine
CID 62761307
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62763603
(2R,3S)-1-phenyl-3-(pyridin-2-ylmethylamino)butan-2-ol
CID 97238015
N-[(1-methylimidazol-2-yl)methyl]-1-phenylpropan-2-amine
CID 63010388
1-(4-bromophenyl)-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 103522112
N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
The IUPAC name of 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine (CID 63011423) is 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
The canonical SMILES for 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine is CC(Cc1ccccc1)NCc1cnccn1.
What is the InChIKey of 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
The InChIKey is BVDOMAOAUBYEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-12(9-13-5-3-2-4-6-13)17-11-14-10-15-7-8-16-14/h2-8,10,12,17H,9,11H2,1H3.
What are the key properties of 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine?
1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyrazin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 63011423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).