4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline

C16H18FNO3 — CID 107593812

IUPAC4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
SMILESCOc1ccc(-c2cc(N)c(C)cc2F)c(OC)c1OC
InChIInChI=1S/C16H18FNO3/c1-9-7-12(17)11(8-13(9)18)10-5-6-14(19-2)16(21-4)15(10)20-3/h5-8H,18H2,1-4H3
InChIKeyFSKXYBKJYQGKHX-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.41
Rot. Bonds4

About 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline

4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline (PubChem CID 107593812) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
PubChem CID107593812
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
SMILESCOc1ccc(-c2cc(N)c(C)cc2F)c(OC)c1OC
InChIInChI=1S/C16H18FNO3/c1-9-7-12(17)11(8-13(9)18)10-5-6-14(19-2)16(21-4)15(10)20-3/h5-8H,18H2,1-4H3
InChIKeyFSKXYBKJYQGKHX-UHFFFAOYSA-N
XLogP3.41
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-methyl-5-(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

5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593741
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
CID 61025129
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
CID 18371878
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
1,2,3-trimethoxy-4-(2,4,6-trimethylphenyl)benzene
CID 173437157
2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
CID 107626993
2,3,4-trimethoxyaniline
CID 15455622
2-amino-7-(2,3,4-trimethoxyphenyl)cyclohepta-2,4,6-trien-1-one
CID 72714989
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
CID 103523744

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline (CID 107593812) is 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline is COc1ccc(-c2cc(N)c(C)cc2F)c(OC)c1OC.
What is the InChIKey of 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline?
The InChIKey is FSKXYBKJYQGKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-9-7-12(17)11(8-13(9)18)10-5-6-14(19-2)16(21-4)15(10)20-3/h5-8H,18H2,1-4H3.
What are the key properties of 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline?
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline has a molecular weight of 291.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline is sourced from PubChem (CID 107593812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).