2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline

C15H16F2N2O2 — CID 81308332

IUPAC2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1ccc(OC(F)F)c(NCc2ccc(C)cn2)c1
InChIInChI=1S/C15H16F2N2O2/c1-10-3-4-11(18-8-10)9-19-13-7-12(20-2)5-6-14(13)21-15(16)17/h3-8,15,19H,9H2,1-2H3
InChIKeyAIZPQLSMMQEKPZ-UHFFFAOYSA-N
MW294.30 g/mol
LogP3.61
Rot. Bonds6

About 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline

2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline (PubChem CID 81308332) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
PubChem CID81308332
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
SMILESCOc1ccc(OC(F)F)c(NCc2ccc(C)cn2)c1
InChIInChI=1S/C15H16F2N2O2/c1-10-3-4-11(18-8-10)9-19-13-7-12(20-2)5-6-14(13)21-15(16)17/h3-8,15,19H,9H2,1-2H3
InChIKeyAIZPQLSMMQEKPZ-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

2-(difluoromethoxy)-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311383
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
N-[(4-bromothiophen-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699802
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 103818584
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-2-pyridinyl)methyl]methanamine
CID 80708230
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
3-bromo-5-chloro-2-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81311545
2-(difluoromethoxy)-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]aniline
CID 82888104
2-(2-methoxyethoxy)-4-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81307043
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpyridin-4-amine
CID 133493352

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline (CID 81308332) is 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline is COc1ccc(OC(F)F)c(NCc2ccc(C)cn2)c1.
What is the InChIKey of 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
The InChIKey is AIZPQLSMMQEKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-10-3-4-11(18-8-10)9-19-13-7-12(20-2)5-6-14(13)21-15(16)17/h3-8,15,19H,9H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline?
2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]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 2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline is sourced from PubChem (CID 81308332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).