5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline

C15H16FNO2 — CID 107593741

IUPAC5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
SMILESCOc1cccc(-c2cc(N)c(C)cc2F)c1OC
InChIInChI=1S/C15H16FNO2/c1-9-7-12(16)11(8-13(9)17)10-5-4-6-14(18-2)15(10)19-3/h4-8H,17H2,1-3H3
InChIKeyXIOHHYZXLYLUKC-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.40
Rot. Bonds3

About 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline

5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline (PubChem CID 107593741) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
PubChem CID107593741
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
SMILESCOc1cccc(-c2cc(N)c(C)cc2F)c1OC
InChIInChI=1S/C15H16FNO2/c1-9-7-12(16)11(8-13(9)17)10-5-4-6-14(18-2)15(10)19-3/h4-8H,17H2,1-3H3
InChIKeyXIOHHYZXLYLUKC-UHFFFAOYSA-N
XLogP3.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2,3-dimethoxyphenyl)-4-fluoro-2-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

4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
1-(2,5-difluorophenyl)-2,3-dimethoxybenzene
CID 165476912
5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593656
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309
2-chloro-4-fluoro-5-(2-methoxyphenyl)aniline
CID 171921707
1-[3-(2,3-dimethoxyphenyl)-4-fluorophenyl]-N-methylmethanamine
CID 82795419
4-(2,3-difluorophenyl)-5-fluoro-2-methylaniline
CID 171916628
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
2-[7-(2,3-dimethoxyphenyl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]ethanamine
CID 68963224
2-fluoro-6-(2-methoxy-4,6-dimethylphenyl)aniline
CID 107602919
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline (CID 107593741) is 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline is COc1cccc(-c2cc(N)c(C)cc2F)c1OC.
What is the InChIKey of 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline?
The InChIKey is XIOHHYZXLYLUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-7-12(16)11(8-13(9)17)10-5-4-6-14(18-2)15(10)19-3/h4-8H,17H2,1-3H3.
What are the key properties of 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline?
5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline has a molecular weight of 261.30 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 107593741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).