N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline

C15H13F4NO — CID 103585009

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2ccccc2OC(F)F)cc1F
InChIInChI=1S/C15H13F4NO/c1-9-6-12(17)13(7-11(9)16)20-8-10-4-2-3-5-14(10)21-15(18)19/h2-7,15,20H,8H2,1H3
InChIKeyOAACPYUVHYUAOK-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.49
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline

N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline (PubChem CID 103585009) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
PubChem CID103585009
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
SMILESCc1cc(F)c(NCc2ccccc2OC(F)F)cc1F
InChIInChI=1S/C15H13F4NO/c1-9-6-12(17)13(7-11(9)16)20-8-10-4-2-3-5-14(10)21-15(18)19/h2-7,15,20H,8H2,1H3
InChIKeyOAACPYUVHYUAOK-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
N-[(2-aminophenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103584865
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
3-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylbenzonitrile
CID 62103912
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
CID 79055531
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethylaniline
CID 81289888

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline (CID 103585009) is N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline is Cc1cc(F)c(NCc2ccccc2OC(F)F)cc1F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline?
The InChIKey is OAACPYUVHYUAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-9-6-12(17)13(7-11(9)16)20-8-10-4-2-3-5-14(10)21-15(18)19/h2-7,15,20H,8H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline?
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline has a molecular weight of 299.27 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline is sourced from PubChem (CID 103585009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).