2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline

C16H20N2O2 — CID 144784037

IUPAC2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
SMILESCNc1cccc(OC)c1COc1nc(C)ccc1C
InChIInChI=1S/C16H20N2O2/c1-11-8-9-12(2)18-16(11)20-10-13-14(17-3)6-5-7-15(13)19-4/h5-9,17H,10H2,1-4H3
InChIKeyPBVBTGDHQMFNFF-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.33
Rot. Bonds5

About 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline

2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline (PubChem CID 144784037) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline.

Molecular Properties

Compound Name2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
PubChem CID144784037
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline
SMILESCNc1cccc(OC)c1COc1nc(C)ccc1C
InChIInChI=1S/C16H20N2O2/c1-11-8-9-12(2)18-16(11)20-10-13-14(17-3)6-5-7-15(13)19-4/h5-9,17H,10H2,1-4H3
InChIKeyPBVBTGDHQMFNFF-UHFFFAOYSA-N
XLogP3.33
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
3-bromo-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144784046
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-chloro-2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-N-methylaniline;ethane;formohydrazide
CID 144784090
2-[[5-(3-chlorophenyl)-2-methylphenoxy]methyl]-3-methoxy-N-methylaniline
CID 144739122
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
3-methoxy-N-methyl-2-[(2-methyl-4-naphthalen-1-ylphenoxy)methyl]aniline
CID 144784956
1-amino-3-[2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methylphenyl]urea
CID 144784562
2-[[4-methoxy-3-(2-methoxyphenyl)phenoxy]methyl]-N,3-dimethylaniline
CID 144738945
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
N-amino-N-methylformamide;3-ethyl-4-[[2-methoxy-6-(methylamino)phenyl]methoxy]phenol
CID 144659615
3-methoxy-N-methyl-2-[[2-methyl-4-[2-(2-methylpropyl)pyrazol-3-yl]phenoxy]methyl]aniline
CID 129109868

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline?
The IUPAC name of 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline (CID 144784037) is 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline.
What is the SMILES notation for 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline?
The canonical SMILES for 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline is CNc1cccc(OC)c1COc1nc(C)ccc1C.
What is the InChIKey of 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline?
The InChIKey is PBVBTGDHQMFNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-8-9-12(2)18-16(11)20-10-13-14(17-3)6-5-7-15(13)19-4/h5-9,17H,10H2,1-4H3.
What are the key properties of 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline?
2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline has a molecular weight of 272.35 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethyl-2-pyridinyl)oxymethyl]-3-methoxy-N-methylaniline is sourced from PubChem (CID 144784037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).