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

C16H20N2O3 — CID 103172005

IUPAC2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
SMILESCOc1ccnc(COCCc2ccccc2N)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-15-7-9-18-14(16(15)20-2)11-21-10-8-12-5-3-4-6-13(12)17/h3-7,9H,8,10-11,17H2,1-2H3
InChIKeyCHMBQFVYBICHLZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.44
Rot. Bonds7

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

2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline (PubChem CID 103172005) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
PubChem CID103172005
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline
SMILESCOc1ccnc(COCCc2ccccc2N)c1OC
InChIInChI=1S/C16H20N2O3/c1-19-15-7-9-18-14(16(15)20-2)11-21-10-8-12-5-3-4-6-13(12)17/h3-7,9H,8,10-11,17H2,1-2H3
InChIKeyCHMBQFVYBICHLZ-UHFFFAOYSA-N
XLogP2.44
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
2-[[(3,4-dimethoxy-2-pyridinyl)methyl-methylamino]methyl]aniline
CID 103173297
2-benzyl-3,4-dimethoxypyridine
CID 141149610
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171961
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3-fluorophenyl]methanamine
CID 103172064
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
2-(2-ethoxyethyl)aniline
CID 14619442
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline?
The IUPAC name of 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline (CID 103172005) is 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline.
What is the SMILES notation for 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline?
The canonical SMILES for 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline is COc1ccnc(COCCc2ccccc2N)c1OC.
What is the InChIKey of 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline?
The InChIKey is CHMBQFVYBICHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-19-15-7-9-18-14(16(15)20-2)11-21-10-8-12-5-3-4-6-13(12)17/h3-7,9H,8,10-11,17H2,1-2H3.
What are the key properties of 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline?
2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline has a molecular weight of 288.35 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethoxy-2-pyridinyl)methoxy]ethyl]aniline is sourced from PubChem (CID 103172005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).