N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline

C15H14BrF2NO2 — CID 43425592

IUPACN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
SMILESCOc1cc(Br)c(CNc2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C15H14BrF2NO2/c1-20-14-3-9(13(16)7-15(14)21-2)8-19-12-5-10(17)4-11(18)6-12/h3-7,19H,8H2,1-2H3
InChIKeyMCTMOZDUFLTXFH-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.36
Rot. Bonds5

About N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline

N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline (PubChem CID 43425592) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
PubChem CID43425592
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC NameN-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline
SMILESCOc1cc(Br)c(CNc2cc(F)cc(F)c2)cc1OC
InChIInChI=1S/C15H14BrF2NO2/c1-20-14-3-9(13(16)7-15(14)21-2)8-19-12-5-10(17)4-11(18)6-12/h3-7,19H,8H2,1-2H3
InChIKeyMCTMOZDUFLTXFH-UHFFFAOYSA-N
XLogP4.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline 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-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791512
N-[(5-bromo-2-methoxyphenyl)methyl]-3-fluoro-5-methylaniline
CID 79055350
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 43220838
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-fluoro-2-iodoaniline
CID 79759188
4-[[2-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylamino]-2,6-dichlorophenol
CID 66545022
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-methylpyrazol-4-amine
CID 43776617
N-[(2-bromo-5-fluorophenyl)methyl]-3-fluoro-4-methoxyaniline
CID 43380826
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
CID 775198
4-[(2-bromo-5-ethoxy-4-methoxyphenyl)methylamino]phenol
CID 66541244
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585
2-bromo-6-[(3,5-difluoroanilino)methyl]phenol
CID 61389992
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-3,4-dimethylaniline
CID 66543083

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline?
The IUPAC name of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline (CID 43425592) is N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline?
The canonical SMILES for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline is COc1cc(Br)c(CNc2cc(F)cc(F)c2)cc1OC.
What is the InChIKey of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline?
The InChIKey is MCTMOZDUFLTXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c1-20-14-3-9(13(16)7-15(14)21-2)8-19-12-5-10(17)4-11(18)6-12/h3-7,19H,8H2,1-2H3.
What are the key properties of N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline?
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline has a molecular weight of 358.18 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3,5-difluoroaniline is sourced from PubChem (CID 43425592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).