2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine

C16H21N3 — CID 116833729

IUPAC2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine
SMILESCC(C)Cc1ccc(C(CN)c2cnccn2)cc1
InChIInChI=1S/C16H21N3/c1-12(2)9-13-3-5-14(6-4-13)15(10-17)16-11-18-7-8-19-16/h3-8,11-12,15H,9-10,17H2,1-2H3
InChIKeyKBJDGGNUOPVBFE-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.77
Rot. Bonds5

About 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine

2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine (PubChem CID 116833729) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine
PubChem CID116833729
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine
SMILESCC(C)Cc1ccc(C(CN)c2cnccn2)cc1
InChIInChI=1S/C16H21N3/c1-12(2)9-13-3-5-14(6-4-13)15(10-17)16-11-18-7-8-19-16/h3-8,11-12,15H,9-10,17H2,1-2H3
InChIKeyKBJDGGNUOPVBFE-UHFFFAOYSA-N
XLogP2.77
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-pyrazin-2-ylethanamine
CID 129371603
2-(3,4-difluorophenyl)-2-pyrazin-2-ylethanamine
CID 116833741
5-(2-amino-1-pyrazin-2-ylethyl)-1,3-dihydrobenzimidazol-2-one
CID 116833767
[4-(2-methylpropyl)phenyl]-pyridin-3-ylmethanamine
CID 43198863
5-(2-amino-1-pyrazin-2-ylethyl)-1-methyl-3H-indol-2-one
CID 116833743
N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 42997249
(4-propylphenyl)-pyrazin-2-ylmethanamine
CID 62801095
1-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81392625
1-[4-(2-methylpropyl)phenyl]-2-pyridin-3-ylethanol
CID 104735785
1-(2-methylpropyl)-4-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene
CID 11044622
[2-(4-tert-butylphenyl)-1-pyrazin-2-ylethyl]hydrazine
CID 105203386
(1S)-N,N-dimethyl-1-[4-(2-methylpropyl)phenyl]ethane-1,2-diamine
CID 95443981

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine?
The IUPAC name of 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine (CID 116833729) is 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine?
The canonical SMILES for 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine is CC(C)Cc1ccc(C(CN)c2cnccn2)cc1.
What is the InChIKey of 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine?
The InChIKey is KBJDGGNUOPVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)9-13-3-5-14(6-4-13)15(10-17)16-11-18-7-8-19-16/h3-8,11-12,15H,9-10,17H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine?
2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine has a molecular weight of 255.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)phenyl]-2-pyrazin-2-ylethanamine is sourced from PubChem (CID 116833729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).