2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine

C17H21N3O — CID 104770198

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1cnccn1
InChIInChI=1S/C17H21N3O/c1-2-19-15(16-12-18-8-9-20-16)11-13-7-10-21-17-6-4-3-5-14(13)17/h3-6,8-9,12-13,15,19H,2,7,10-11H2,1H3
InChIKeyOQKMMKUZYSQVDL-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.08
Rot. Bonds5

About 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine

2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine (PubChem CID 104770198) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
PubChem CID104770198
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine
SMILESCCNC(CC1CCOc2ccccc21)c1cnccn1
InChIInChI=1S/C17H21N3O/c1-2-19-15(16-12-18-8-9-20-16)11-13-7-10-21-17-6-4-3-5-14(13)17/h3-6,8-9,12-13,15,19H,2,7,10-11H2,1H3
InChIKeyOQKMMKUZYSQVDL-UHFFFAOYSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 104770146
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-2-ylethanamine
CID 104770144
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 105179826
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105034371
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-(furan-3-yl)ethanamine
CID 104770367
N-[2-(3,4-dihydro-2H-chromen-4-yl)-1-(2H-triazol-4-yl)ethyl]propan-1-amine
CID 104770542
1-(3,4-dihydro-2H-chromen-4-yl)-N,3-diethylpentan-2-amine
CID 105034256
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187
2-(3,4-dihydro-2H-chromen-4-yl)-1-(3-fluoro-4-pyridinyl)-N-methylethanamine
CID 104770561
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104770575
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine (CID 104770198) is 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine is CCNC(CC1CCOc2ccccc21)c1cnccn1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine?
The InChIKey is OQKMMKUZYSQVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-19-15(16-12-18-8-9-20-16)11-13-7-10-21-17-6-4-3-5-14(13)17/h3-6,8-9,12-13,15,19H,2,7,10-11H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine?
2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine has a molecular weight of 283.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 104770198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).