2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine

C19H23ClN2O2 — CID 57140500

IUPAC2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine
SMILESCC=COc1nc(COCc2ccccc2)c(CC(C)C)nc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-4-10-24-19-18(20)21-16(11-14(2)3)17(22-19)13-23-12-15-8-6-5-7-9-15/h4-10,14H,11-13H2,1-3H3
InChIKeyXRZFJSFOAOTJQF-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.96
Rot. Bonds8

About 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine

2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine (PubChem CID 57140500) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine
PubChem CID57140500
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine
SMILESCC=COc1nc(COCc2ccccc2)c(CC(C)C)nc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-4-10-24-19-18(20)21-16(11-14(2)3)17(22-19)13-23-12-15-8-6-5-7-9-15/h4-10,14H,11-13H2,1-3H3
InChIKeyXRZFJSFOAOTJQF-UHFFFAOYSA-N
XLogP4.96
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol
CID 174289987
ethane;phenylmethoxymethylbenzene
CID 90943549
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-yloxypyrazin-2-yl]methanol
CID 57145342
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol
CID 150196401
4-methyl-1-phenylmethoxypentan-2-amine
CID 13228785
(2S)-4-methyl-1-phenylmethoxypentan-2-amine
CID 13228786
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
CID 66734377
CID 66734377
CID 89311949
CID 89311949
[(Z)-pent-3-enoxy]methylbenzene
CID 13428364
(2S)-4-methyl-1-phenylmethoxypentan-2-amine;sulfane
CID 158419681

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine?
The IUPAC name of 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine (CID 57140500) is 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine.
What is the SMILES notation for 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine?
The canonical SMILES for 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine is CC=COc1nc(COCc2ccccc2)c(CC(C)C)nc1Cl.
What is the InChIKey of 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine?
The InChIKey is XRZFJSFOAOTJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-4-10-24-19-18(20)21-16(11-14(2)3)17(22-19)13-23-12-15-8-6-5-7-9-15/h4-10,14H,11-13H2,1-3H3.
What are the key properties of 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine?
2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine has a molecular weight of 346.86 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine is sourced from PubChem (CID 57140500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).