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

C15H16F2N2O2 — CID 144784654

IUPAC3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
SMILESCNc1cccc(OC(F)F)c1COc1cccnc1C
InChIInChI=1S/C15H16F2N2O2/c1-10-13(7-4-8-19-10)20-9-11-12(18-2)5-3-6-14(11)21-15(16)17/h3-8,15,18H,9H2,1-2H3
InChIKeyRUNQGFVVWRZEDA-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.61
Rot. Bonds6

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

3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline (PubChem CID 144784654) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
PubChem CID144784654
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
SMILESCNc1cccc(OC(F)F)c1COc1cccnc1C
InChIInChI=1S/C15H16F2N2O2/c1-10-13(7-4-8-19-10)20-9-11-12(18-2)5-3-6-14(11)21-15(16)17/h3-8,15,18H,9H2,1-2H3
InChIKeyRUNQGFVVWRZEDA-UHFFFAOYSA-N
XLogP3.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144783854
3-methoxy-N-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784150
3-(2,2-difluoroethoxy)-2-methylpyridine
CID 131160464
N,3-dimethyl-2-[(3-methyl-2-pyridinyl)oxymethyl]aniline
CID 144784540
3-methoxy-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144738896
3-fluoro-N-methyl-2-[(2-methylphenoxy)methyl]aniline
CID 144784976
N-methyl-2-[(3-methylpyrazin-2-yl)oxymethyl]-3-methylsulfanylaniline
CID 144784676
3-chloro-2-[(2-chloro-3-pyridinyl)oxymethyl]-N-methylaniline;formohydrazide
CID 144783928
2-[(4-chloro-3-pyridinyl)oxymethyl]-3-ethoxy-N-methylaniline
CID 144784328
3-(difluoromethoxy)-2-fluoropyridine
CID 74892042
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125
3-cyclopropyl-2-[[4-(3-fluoro-2-pyridinyl)-2-methylphenoxy]methyl]-N-methylaniline
CID 144773248

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
The IUPAC name of 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline (CID 144784654) is 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline is CNc1cccc(OC(F)F)c1COc1cccnc1C.
What is the InChIKey of 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
The InChIKey is RUNQGFVVWRZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-10-13(7-4-8-19-10)20-9-11-12(18-2)5-3-6-14(11)21-15(16)17/h3-8,15,18H,9H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline?
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline has a molecular weight of 294.30 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline is sourced from PubChem (CID 144784654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).