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

C15H16FNO2 — CID 107593656

IUPAC5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
SMILESCOc1ccc(-c2cc(N)c(C)cc2F)c(OC)c1
InChIInChI=1S/C15H16FNO2/c1-9-6-13(16)12(8-14(9)17)11-5-4-10(18-2)7-15(11)19-3/h4-8H,17H2,1-3H3
InChIKeyFPWIHYUYEQGMLW-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.40
Rot. Bonds3

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

5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline (PubChem CID 107593656) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
PubChem CID107593656
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline
SMILESCOc1ccc(-c2cc(N)c(C)cc2F)c(OC)c1
InChIInChI=1S/C15H16FNO2/c1-9-6-13(16)12(8-14(9)17)11-5-4-10(18-2)7-15(11)19-3/h4-8H,17H2,1-3H3
InChIKeyFPWIHYUYEQGMLW-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'}

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Related Compounds

4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
4-fluoro-5-(2-fluoro-3-methoxyphenyl)-2-methylaniline
CID 107593742
5-(2,3-dimethoxyphenyl)-4-fluoro-2-methylaniline
CID 107593741
4-(2,4-dimethoxyphenyl)-3-fluorophenol
CID 53219547
4-fluoro-2-methyl-5-(2,3,4-trifluorophenyl)aniline
CID 107593669
1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene
CID 143904516
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
[4-(2,4-dimethoxyphenyl)-3-methylphenyl]methanamine
CID 66479632
1-(2,4-dimethoxyphenyl)-2,4-difluoro-5-(4-methoxy-2-propylphenyl)benzene;ethane
CID 143904515
4-(2,4-dimethoxyphenyl)-3-fluorobenzoic acid
CID 53211675
5-(4-cyclopropyloxyphenyl)-4-fluoro-2-methylaniline
CID 107593757
2-fluoro-4-methoxyaniline
CID 3756383

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline (CID 107593656) is 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline is COc1ccc(-c2cc(N)c(C)cc2F)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline?
The InChIKey is FPWIHYUYEQGMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-9-6-13(16)12(8-14(9)17)11-5-4-10(18-2)7-15(11)19-3/h4-8H,17H2,1-3H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline?
5-(2,4-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-(2,4-dimethoxyphenyl)-4-fluoro-2-methylaniline is sourced from PubChem (CID 107593656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).