2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline

C15H15F2NO3 — CID 107616185

IUPAC2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline
SMILESCOc1ccc(-c2cc(F)c(N)cc2F)c(OC)c1OC
InChIInChI=1S/C15H15F2NO3/c1-19-13-5-4-8(14(20-2)15(13)21-3)9-6-11(17)12(18)7-10(9)16/h4-7H,18H2,1-3H3
InChIKeyRWOBIFJPBDWRBS-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.24
Rot. Bonds4

About 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline

2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline (PubChem CID 107616185) has the molecular formula C15H15F2NO3 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline
PubChem CID107616185
Molecular FormulaC15H15F2NO3
Molecular Weight295.29 g/mol
Exact Mass295.10
IUPAC Name2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline
SMILESCOc1ccc(-c2cc(F)c(N)cc2F)c(OC)c1OC
InChIInChI=1S/C15H15F2NO3/c1-19-13-5-4-8(14(20-2)15(13)21-3)9-6-11(17)12(18)7-10(9)16/h4-7H,18H2,1-3H3
InChIKeyRWOBIFJPBDWRBS-UHFFFAOYSA-N
XLogP3.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline 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

4-(3,4-Dimethoxyphenethyl)aniline
CID 14256024
(E)-4-(3,4,5-Trimethoxystyryl)aniline
CID 15696376
(E)-4-(3,5-Dimethoxystyryl)aniline
CID 18785180
2,3-Dimethoxy-4''-amino-trans-stilbene
CID 49799640
2,4-Dimethoxy-4''-amino-trans-stilbene
CID 49799655
4-(3,4,5-Trimethoxyphenethyl)aniline
CID 364705
4-(3,5-Dimethoxyphenethyl)benzenamine
CID 14256034
3,4-Dimethoxy-4''-amino-trans-stilbene
CID 49799648
2-(Difluoromethoxy)-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145951825
5-[2,2-Difluoro-1-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyaniline
CID 145959615
(Z)-1-(3-amino-4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)ethene
CID 10590264
5-[(E)-2-fluoro-2-(3,4,5-trimethoxyphenyl)ethenyl]-2-methoxyaniline
CID 11186635

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline?
The IUPAC name of 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline (CID 107616185) is 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline?
The canonical SMILES for 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline is COc1ccc(-c2cc(F)c(N)cc2F)c(OC)c1OC.
What is the InChIKey of 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline?
The InChIKey is RWOBIFJPBDWRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3/c1-19-13-5-4-8(14(20-2)15(13)21-3)9-6-11(17)12(18)7-10(9)16/h4-7H,18H2,1-3H3.
What are the key properties of 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline?
2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline has a molecular weight of 295.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(2,3,4-trimethoxyphenyl)aniline is sourced from PubChem (CID 107616185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).