3-[[4-(diethoxymethyl)phenyl]methyl]pyridine

C17H21NO2 — CID 12882176

IUPAC3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
SMILESCCOC(OCC)c1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-19-17(20-4-2)16-9-7-14(8-10-16)12-15-6-5-11-18-13-15/h5-11,13,17H,3-4,12H2,1-2H3
InChIKeyUMYLKDAQXNRQRQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.74
Rot. Bonds7

About 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine

3-[[4-(diethoxymethyl)phenyl]methyl]pyridine (PubChem CID 12882176) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
PubChem CID12882176
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[[4-(diethoxymethyl)phenyl]methyl]pyridine
SMILESCCOC(OCC)c1ccc(Cc2cccnc2)cc1
InChIInChI=1S/C17H21NO2/c1-3-19-17(20-4-2)16-9-7-14(8-10-16)12-15-6-5-11-18-13-15/h5-11,13,17H,3-4,12H2,1-2H3
InChIKeyUMYLKDAQXNRQRQ-UHFFFAOYSA-N
XLogP3.74
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(diethoxymethyl)phenyl]-pyridin-3-ylmethanol
CID 10401799
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786
4-(diethoxymethyl)pyridine
CID 15389192
ethyl formate;3-[(4-fluorophenyl)methyl]pyridine
CID 174527511
4-(pyridin-3-ylmethyl)phenol;hydrochloride
CID 13290136
1-(bromomethyl)-4-(diethoxymethyl)benzene
CID 639761
[4-(diethoxymethyl)phenyl]methanol
CID 11063705
ethyl 3-oxo-2-[4-(pyridin-3-ylmethyl)phenoxy]butanoate
CID 70479044
3-[[4-(diethoxymethyl)triazol-1-yl]methyl]pyridine
CID 66216761
3-ethylpyridine
CID 10823
4-(pyridin-3-ylmethyl)benzene-1,2-diamine
CID 13276723

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine?
The IUPAC name of 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine (CID 12882176) is 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine?
The canonical SMILES for 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine is CCOC(OCC)c1ccc(Cc2cccnc2)cc1.
What is the InChIKey of 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine?
The InChIKey is UMYLKDAQXNRQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-19-17(20-4-2)16-9-7-14(8-10-16)12-15-6-5-11-18-13-15/h5-11,13,17H,3-4,12H2,1-2H3.
What are the key properties of 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine?
3-[[4-(diethoxymethyl)phenyl]methyl]pyridine has a molecular weight of 271.36 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(diethoxymethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 12882176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).