2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine

C15H17ClN2O2 — CID 170721271

IUPAC2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine
SMILESCOc1ccc(COC(C)(C)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,13-8-18-14(16)9-17-13)20-10-11-4-6-12(19-3)7-5-11/h4-9H,10H2,1-3H3
InChIKeyNGAVDNHSGJZBFE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.59
Rot. Bonds5

About 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine

2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine (PubChem CID 170721271) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine
PubChem CID170721271
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine
SMILESCOc1ccc(COC(C)(C)c2cnc(Cl)cn2)cc1
InChIInChI=1S/C15H17ClN2O2/c1-15(2,13-8-18-14(16)9-17-13)20-10-11-4-6-12(19-3)7-5-11/h4-9H,10H2,1-3H3
InChIKeyNGAVDNHSGJZBFE-UHFFFAOYSA-N
XLogP3.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 11206354
methyl 2-[(4-methoxyphenyl)methoxy]-2-methylpropanoate
CID 59570909
(4-methoxyphenyl)methyl N-[(2R)-2-(6-chloro-3-pyridinyl)-2-hydroxyethyl]carbamate
CID 134448147
5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-1H-pyrazol-3-amine
CID 121374620
3,7-dichloro-2-[(4-methoxyphenyl)methoxy]pyrido[3,4-b]pyrazine
CID 170793879
3-chloro-7-methoxyisoquinoline
CID 53425565
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
(4-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929193
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine?
The IUPAC name of 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine (CID 170721271) is 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine.
What is the SMILES notation for 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine?
The canonical SMILES for 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine is COc1ccc(COC(C)(C)c2cnc(Cl)cn2)cc1.
What is the InChIKey of 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine?
The InChIKey is NGAVDNHSGJZBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-15(2,13-8-18-14(16)9-17-13)20-10-11-4-6-12(19-3)7-5-11/h4-9H,10H2,1-3H3.
What are the key properties of 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine?
2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine has a molecular weight of 292.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]pyrazine is sourced from PubChem (CID 170721271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).