N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline

C15H15F2NO2 — CID 23848155

IUPACN-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2c(F)cccc2F)cc(OC)c1
InChIInChI=1S/C15H15F2NO2/c1-19-11-6-10(7-12(8-11)20-2)18-9-13-14(16)4-3-5-15(13)17/h3-8,18H,9H2,1-2H3
InChIKeyIFMGPVBCGAZETB-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.59
Rot. Bonds5

About N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline

N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline (PubChem CID 23848155) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline
PubChem CID23848155
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline
SMILESCOc1cc(NCc2c(F)cccc2F)cc(OC)c1
InChIInChI=1S/C15H15F2NO2/c1-19-11-6-10(7-12(8-11)20-2)18-9-13-14(16)4-3-5-15(13)17/h3-8,18H,9H2,1-2H3
InChIKeyIFMGPVBCGAZETB-UHFFFAOYSA-N
XLogP3.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline 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-bromo-N-[(2-chloro-3-fluorophenyl)methyl]-5-methoxyaniline
CID 112652219
3-bromo-N-[(2,6-difluorophenyl)methyl]-5-methylaniline
CID 107582170
[2-(3,5-dimethoxyphenoxy)-6-fluorophenyl]methanamine
CID 79517647
3-bromo-N-[(2,6-dimethylphenyl)methyl]-5-methoxyaniline
CID 82868424
N-[(2,6-difluorophenyl)methyl]-4-fluoro-3-methylaniline
CID 55118977
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
3-fluoro-5-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 113256867
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121
(1S)-N-[(2,6-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376003
3-bromo-N-[(2,4-difluorophenyl)methyl]-5-methoxyaniline
CID 82857286
N-[(1-ethylpyrrol-3-yl)methyl]-3,5-dimethoxyaniline
CID 66398806

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline (CID 23848155) is N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline is COc1cc(NCc2c(F)cccc2F)cc(OC)c1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline?
The InChIKey is IFMGPVBCGAZETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c1-19-11-6-10(7-12(8-11)20-2)18-9-13-14(16)4-3-5-15(13)17/h3-8,18H,9H2,1-2H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline?
N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline has a molecular weight of 279.29 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3,5-dimethoxyaniline is sourced from PubChem (CID 23848155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).