3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline

C15H18N2O3 — CID 114936284

IUPAC3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H18N2O3/c1-18-13-6-5-12(8-14(13)19-2)16-9-11-4-7-15(20-3)17-10-11/h4-8,10,16H,9H2,1-3H3
InChIKeyWPHMLBHJVOZCPO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.72
Rot. Bonds6

About 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline

3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline (PubChem CID 114936284) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
PubChem CID114936284
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
SMILESCOc1ccc(CNc2ccc(OC)c(OC)c2)cn1
InChIInChI=1S/C15H18N2O3/c1-18-13-6-5-12(8-14(13)19-2)16-9-11-4-7-15(20-3)17-10-11/h4-8,10,16H,9H2,1-3H3
InChIKeyWPHMLBHJVOZCPO-UHFFFAOYSA-N
XLogP2.72
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851491
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 107276326
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755
3-[(6-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114936305
tert-butyl N-[5-[(3,4-dimethoxyanilino)methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 155758538
N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-4-nitroaniline
CID 47279209
N-[(6-methoxy-3-pyridinyl)methyl]thiophen-3-amine
CID 114936804
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The IUPAC name of 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline (CID 114936284) is 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline.
What is the SMILES notation for 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The canonical SMILES for 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline is COc1ccc(CNc2ccc(OC)c(OC)c2)cn1.
What is the InChIKey of 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
The InChIKey is WPHMLBHJVOZCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-18-13-6-5-12(8-14(13)19-2)16-9-11-4-7-15(20-3)17-10-11/h4-8,10,16H,9H2,1-3H3.
What are the key properties of 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline?
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline has a molecular weight of 274.32 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline is sourced from PubChem (CID 114936284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).