2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine

C16H21N3 — CID 54910869

IUPAC2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1cnccn1
InChIInChI=1S/C16H21N3/c1-4-18-15(16-11-17-5-6-19-16)10-14-8-12(2)7-13(3)9-14/h5-9,11,15,18H,4,10H2,1-3H3
InChIKeyAUWCSUBMUVUCOE-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.99
Rot. Bonds5

About 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine

2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine (PubChem CID 54910869) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
PubChem CID54910869
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(Cc1cc(C)cc(C)c1)c1cnccn1
InChIInChI=1S/C16H21N3/c1-4-18-15(16-11-17-5-6-19-16)10-14-8-12(2)7-13(3)9-14/h5-9,11,15,18H,4,10H2,1-3H3
InChIKeyAUWCSUBMUVUCOE-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-pyrazin-2-yl-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549862
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 104801439
2-(3,4-dimethoxyphenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 63969018
N,N',N'-triethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 79087147
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-pyrazin-2-ylethanamine
CID 105149914
N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
N-ethyl-2-(4-methylphenyl)sulfanyl-1-pyrazin-2-ylethanamine
CID 66066987
N-ethyl-N',N'-dimethyl-1-pyrazin-2-ylpropane-1,3-diamine
CID 115346569
N-ethyl-2-propylsulfanyl-1-pyrazin-2-ylethanamine
CID 65129386
2-(3,5-dimethylphenyl)-N-ethyl-1-(5-fluoro-3-pyridinyl)ethanamine
CID 62596666
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62601747
2-(2-bromo-4-fluorophenyl)-N-ethyl-1-pyrazin-2-ylethanamine
CID 62600046

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine (CID 54910869) is 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine is CCNC(Cc1cc(C)cc(C)c1)c1cnccn1.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
The InChIKey is AUWCSUBMUVUCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-4-18-15(16-11-17-5-6-19-16)10-14-8-12(2)7-13(3)9-14/h5-9,11,15,18H,4,10H2,1-3H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine?
2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-ethyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 54910869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).