3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline

C14H16N2O3 — CID 103171961

IUPAC3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1ccnc(COc2cccc(N)c2)c1OC
InChIInChI=1S/C14H16N2O3/c1-17-13-6-7-16-12(14(13)18-2)9-19-11-5-3-4-10(15)8-11/h3-8H,9,15H2,1-2H3
InChIKeyWVFNFRHMJVNBAG-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.26
Rot. Bonds5

About 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline

3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline (PubChem CID 103171961) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
PubChem CID103171961
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
SMILESCOc1ccnc(COc2cccc(N)c2)c1OC
InChIInChI=1S/C14H16N2O3/c1-17-13-6-7-16-12(14(13)18-2)9-19-11-5-3-4-10(15)8-11/h3-8H,9,15H2,1-2H3
InChIKeyWVFNFRHMJVNBAG-UHFFFAOYSA-N
XLogP2.26
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-fluorophenoxy)methyl]-3,4-dimethoxypyridine
CID 103174166
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
3-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]aniline
CID 103174682
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-2-fluorobenzonitrile
CID 103174663
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
2-[[3-(bromomethyl)-5-fluorophenoxy]methyl]-3,4-dimethoxypyridine
CID 103173388
3-(2,6-dimethoxyphenoxy)aniline
CID 57089933
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline (CID 103171961) is 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline is COc1ccnc(COc2cccc(N)c2)c1OC.
What is the InChIKey of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
The InChIKey is WVFNFRHMJVNBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-17-13-6-7-16-12(14(13)18-2)9-19-11-5-3-4-10(15)8-11/h3-8H,9,15H2,1-2H3.
What are the key properties of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline?
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline has a molecular weight of 260.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 103171961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).