N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline

C16H17F2NO2 — CID 60932232

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccccc1OC(F)F
InChIInChI=1S/C16H17F2NO2/c1-11-7-8-13(15(9-11)20-2)19-10-12-5-3-4-6-14(12)21-16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyQMNKCLGONCXTKN-UHFFFAOYSA-N
MW293.31 g/mol
LogP4.22
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline

N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline (PubChem CID 60932232) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
PubChem CID60932232
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C)ccc1NCc1ccccc1OC(F)F
InChIInChI=1S/C16H17F2NO2/c1-11-7-8-13(15(9-11)20-2)19-10-12-5-3-4-6-14(12)21-16(17)18/h3-9,16,19H,10H2,1-2H3
InChIKeyQMNKCLGONCXTKN-UHFFFAOYSA-N
XLogP4.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 18143923
2-methoxy-5-methyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39386889
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
N-benzyl-2-methoxy-4-methylaniline
CID 54865649
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-5-methoxy-2-nitroaniline
CID 133373351
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-methoxy-4-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818943
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline (CID 60932232) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline is COc1cc(C)ccc1NCc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline?
The InChIKey is QMNKCLGONCXTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-11-7-8-13(15(9-11)20-2)19-10-12-5-3-4-6-14(12)21-16(17)18/h3-9,16,19H,10H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline has a molecular weight of 293.31 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 60932232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).