3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline

C15H18N2O2 — CID 144784150

IUPAC3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
SMILESCNc1cccc(OC)c1COc1ncccc1C
InChIInChI=1S/C15H18N2O2/c1-11-6-5-9-17-15(11)19-10-12-13(16-2)7-4-8-14(12)18-3/h4-9,16H,10H2,1-3H3
InChIKeyAZSXNJMSWLEFKC-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.02
Rot. Bonds5

About 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline

3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline (PubChem CID 144784150) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
PubChem CID144784150
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
SMILESCNc1cccc(OC)c1COc1ncccc1C
InChIInChI=1S/C15H18N2O2/c1-11-6-5-9-17-15(11)19-10-12-13(16-2)7-4-8-14(12)18-3/h4-9,16H,10H2,1-3H3
InChIKeyAZSXNJMSWLEFKC-UHFFFAOYSA-N
XLogP3.02
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
The IUPAC name of 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline (CID 144784150) is 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline.
What is the SMILES notation for 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
The canonical SMILES for 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline is CNc1cccc(OC)c1COc1ncccc1C.
What is the InChIKey of 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
The InChIKey is AZSXNJMSWLEFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-6-5-9-17-15(11)19-10-12-13(16-2)7-4-8-14(12)18-3/h4-9,16H,10H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline?
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline has a molecular weight of 258.32 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline is sourced from PubChem (CID 144784150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).