N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine

C15H16ClN3O — CID 65028581

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NC2c3ccccc3CC2Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-2-20-14-9-17-8-13(18-14)19-15-11-6-4-3-5-10(11)7-12(15)16/h3-6,8-9,12,15H,2,7H2,1H3,(H,18,19)
InChIKeyWJANUBNPIOWYDW-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.19
Rot. Bonds4

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine (PubChem CID 65028581) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
PubChem CID65028581
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine
SMILESCCOc1cncc(NC2c3ccccc3CC2Cl)n1
InChIInChI=1S/C15H16ClN3O/c1-2-20-14-9-17-8-13(18-14)19-15-11-6-4-3-5-10(11)7-12(15)16/h3-6,8-9,12,15H,2,7H2,1H3,(H,18,19)
InChIKeyWJANUBNPIOWYDW-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethoxypyrimidin-2-amine
CID 115975685
(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 133448139
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrimidin-4-amine
CID 65028168
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2,6-dimethylpyrimidin-4-amine
CID 65028479
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-4-ethyl-1,3-thiazol-2-amine
CID 65028482
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridazin-3-amine
CID 65028225
N-[(2-chlorocyclohexyl)methyl]-6-ethoxypyrazin-2-amine
CID 65028885
3-bromo-N-(2-chloro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 114983465
N-[3-(aminomethyl)cyclohexyl]-6-ethoxypyrazin-2-amine
CID 112753139
N-(1-chloro-3-phenylpropan-2-yl)-6-ethoxypyrazin-2-amine
CID 65029274
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-1,2,4-thiadiazol-5-amine
CID 65277345
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-5-methylpyridine-3-carboxamide
CID 114302241

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine (CID 65028581) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine is CCOc1cncc(NC2c3ccccc3CC2Cl)n1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine?
The InChIKey is WJANUBNPIOWYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-2-20-14-9-17-8-13(18-14)19-15-11-6-4-3-5-10(11)7-12(15)16/h3-6,8-9,12,15H,2,7H2,1H3,(H,18,19).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine has a molecular weight of 289.77 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-6-ethoxypyrazin-2-amine is sourced from PubChem (CID 65028581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).