2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol

C19H25ClN2O2 — CID 174289987

IUPAC2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol
SMILESCC=CO.Cc1nc(OCc2ccccc2)c(CC(C)C)nc1Cl
InChIInChI=1S/C16H19ClN2O.C3H6O/c1-11(2)9-14-16(18-12(3)15(17)19-14)20-10-13-7-5-4-6-8-13;1-2-3-4/h4-8,11H,9-10H2,1-3H3;2-4H,1H3
InChIKeyZCHUAPMMHYXGPN-UHFFFAOYSA-N
MW348.87 g/mol
LogP5.29
Rot. Bonds5

About 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol

2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol (PubChem CID 174289987) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol.

Molecular Properties

Compound Name2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol
PubChem CID174289987
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol
SMILESCC=CO.Cc1nc(OCc2ccccc2)c(CC(C)C)nc1Cl
InChIInChI=1S/C16H19ClN2O.C3H6O/c1-11(2)9-14-16(18-12(3)15(17)19-14)20-10-13-7-5-4-6-8-13;1-2-3-4/h4-8,11H,9-10H2,1-3H3;2-4H,1H3
InChIKeyZCHUAPMMHYXGPN-UHFFFAOYSA-N
XLogP5.29
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.87
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-(2-methylpropyl)-5-(phenylmethoxymethyl)-3-prop-1-enoxypyrazine
CID 57140500
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-ylpyrazin-2-yl]methanol
CID 150196401
[5-(2-methylpropyl)-6-phenylmethoxy-3-propan-2-yloxypyrazin-2-yl]methanol
CID 57145342
[3-bromo-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl methanesulfonate
CID 57235929
3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-2-(2-methylpropyl)-1H-indole
CID 57256783
[3-cyclohexyloxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl methanesulfonate
CID 57296367
3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-5-methyl-1H-indole
CID 57176993
2-methyl-4-phenylmethoxythieno[2,3-d]pyrimidine
CID 175578608
5-methoxy-3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]-2-methyl-1H-indole
CID 57161878
benzyl 3-[[3-methoxy-5-(2-methylpropyl)-6-phenylmethoxypyrazin-2-yl]methyl]indole-1-carboxylate
CID 10392372
1-chloro-6-methyl-4-phenylmethoxyphthalazine;ethane
CID 156651172
4-chloro-2-cyclopropyl-5-methyl-6-phenylmethoxypyrimidine
CID 80974375

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol?
The IUPAC name of 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol (CID 174289987) is 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol.
What is the SMILES notation for 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol?
The canonical SMILES for 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol is CC=CO.Cc1nc(OCc2ccccc2)c(CC(C)C)nc1Cl.
What is the InChIKey of 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol?
The InChIKey is ZCHUAPMMHYXGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O.C3H6O/c1-11(2)9-14-16(18-12(3)15(17)19-14)20-10-13-7-5-4-6-8-13;1-2-3-4/h4-8,11H,9-10H2,1-3H3;2-4H,1H3.
What are the key properties of 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol?
2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol has a molecular weight of 348.87 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-(2-methylpropyl)-5-phenylmethoxypyrazine;prop-1-en-1-ol is sourced from PubChem (CID 174289987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).