3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine

C17H21NO3 — CID 103174172

IUPAC3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
SMILESCOc1ccnc(COc2ccccc2C(C)C)c1OC
InChIInChI=1S/C17H21NO3/c1-12(2)13-7-5-6-8-15(13)21-11-14-17(20-4)16(19-3)9-10-18-14/h5-10,12H,11H2,1-4H3
InChIKeyNRRFDELRZNSSJJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.80
Rot. Bonds6

About 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine

3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine (PubChem CID 103174172) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine.

Molecular Properties

Compound Name3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
PubChem CID103174172
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
SMILESCOc1ccnc(COc2ccccc2C(C)C)c1OC
InChIInChI=1S/C17H21NO3/c1-12(2)13-7-5-6-8-15(13)21-11-14-17(20-4)16(19-3)9-10-18-14/h5-10,12H,11H2,1-4H3
InChIKeyNRRFDELRZNSSJJ-UHFFFAOYSA-N
XLogP3.80
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]phenyl]ethanol
CID 103173312
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
3-methyl-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 112651495
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
2-benzyl-3,4-dimethoxypyridine
CID 141149610
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722
2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
The IUPAC name of 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine (CID 103174172) is 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine.
What is the SMILES notation for 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
The canonical SMILES for 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine is COc1ccnc(COc2ccccc2C(C)C)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
The InChIKey is NRRFDELRZNSSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)13-7-5-6-8-15(13)21-11-14-17(20-4)16(19-3)9-10-18-14/h5-10,12H,11H2,1-4H3.
What are the key properties of 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine?
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine has a molecular weight of 287.36 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine is sourced from PubChem (CID 103174172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).