1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine

C16H21N3 — CID 62763603

IUPAC1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2cnccn2)cc1
InChIInChI=1S/C16H21N3/c1-12(2)14-4-6-15(7-5-14)13(3)19-11-16-10-17-8-9-18-16/h4-10,12-13,19H,11H2,1-3H3
InChIKeyJXOQGBUXJOMSCF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.45
Rot. Bonds5

About 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine

1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine (PubChem CID 62763603) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
PubChem CID62763603
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
SMILESCC(C)c1ccc(C(C)NCc2cnccn2)cc1
InChIInChI=1S/C16H21N3/c1-12(2)14-4-6-15(7-5-14)13(3)19-11-16-10-17-8-9-18-16/h4-10,12-13,19H,11H2,1-3H3
InChIKeyJXOQGBUXJOMSCF-UHFFFAOYSA-N
XLogP3.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-fluorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81348280
1-(4-propan-2-yloxyphenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62761091
N-(pyrazin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62763608
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497
(1S)-1-(3-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81366845
1-(1,3-benzodioxol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 62762166
(1R)-1-(2-chlorophenyl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 81377262
N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761626
1-pyridin-4-yl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760038
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine (CID 62763603) is 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine is CC(C)c1ccc(C(C)NCc2cnccn2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
The InChIKey is JXOQGBUXJOMSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)14-4-6-15(7-5-14)13(3)19-11-16-10-17-8-9-18-16/h4-10,12-13,19H,11H2,1-3H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine?
1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62763603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).