N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline

C15H14F3NO — CID 79055531

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCc2ccccc2OC(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-10-6-12(16)8-13(7-10)19-9-11-4-2-3-5-14(11)20-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyYMEKPKQPASSFRB-UHFFFAOYSA-N
MW281.28 g/mol
LogP4.35
Rot. Bonds5

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline

N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline (PubChem CID 79055531) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
PubChem CID79055531
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline
SMILESCc1cc(F)cc(NCc2ccccc2OC(F)F)c1
InChIInChI=1S/C15H14F3NO/c1-10-6-12(16)8-13(7-10)19-9-11-4-2-3-5-14(11)20-15(17)18/h2-8,15,19H,9H2,1H3
InChIKeyYMEKPKQPASSFRB-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-N-[(2-propan-2-yloxyphenyl)methyl]aniline
CID 39369011
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-4-methoxyaniline
CID 43380507
3-bromo-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-5-methylaniline
CID 107582286
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
2-chloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 28967609
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
2-[2-[(3-fluoro-5-methylanilino)methyl]phenyl]acetic acid
CID 115462142
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
2,5-dichloro-N-[[2-(difluoromethoxy)phenyl]methyl]-4-methylaniline
CID 104726373
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-6-methylaniline
CID 60924885
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline (CID 79055531) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline is Cc1cc(F)cc(NCc2ccccc2OC(F)F)c1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline?
The InChIKey is YMEKPKQPASSFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-10-6-12(16)8-13(7-10)19-9-11-4-2-3-5-14(11)20-15(17)18/h2-8,15,19H,9H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-fluoro-5-methylaniline has a molecular weight of 281.28 g/mol, XLogP of 4.35, 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]-3-fluoro-5-methylaniline is sourced from PubChem (CID 79055531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).