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

C15H16FNO3 — CID 61025129

IUPAC2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(N)c(F)c2)c(OC)c1OC
InChIInChI=1S/C15H16FNO3/c1-18-13-7-5-10(14(19-2)15(13)20-3)9-4-6-12(17)11(16)8-9/h4-8H,17H2,1-3H3
InChIKeyZUQBXDIQJUEWLT-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.10
Rot. Bonds4

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

2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline (PubChem CID 61025129) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
PubChem CID61025129
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline
SMILESCOc1ccc(-c2ccc(N)c(F)c2)c(OC)c1OC
InChIInChI=1S/C15H16FNO3/c1-18-13-7-5-10(14(19-2)15(13)20-3)9-4-6-12(17)11(16)8-9/h4-8H,17H2,1-3H3
InChIKeyZUQBXDIQJUEWLT-UHFFFAOYSA-N
XLogP3.10
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
methyl 2-amino-5-(2,3,4-trimethoxyphenyl)benzoate
CID 82572924
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
4-[5-(4-amino-3-fluorophenyl)naphthalen-1-yl]-2-fluoroaniline
CID 146374126
1-(3,4-difluorophenyl)-3,4-dimethoxy-2-methylbenzene
CID 174501596
1-(4-chlorophenyl)-2,3,4-trimethoxybenzene
CID 57161799
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
CID 18371878
5-chloro-2-(3-fluoro-4-methoxyphenyl)aniline
CID 81274573
2,3,4-trimethoxyaniline
CID 15455622
2-fluoro-4-(2,4,6-trimethoxyphenyl)aniline
CID 61025671
2-[4-(2,3,4-trimethoxyphenyl)phenyl]ethanamine
CID 82039666
[4-[4-(4-amino-3-fluorophenyl)-2,5-dimethoxyphenyl]phenyl] methanesulfonate
CID 23538895

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline?
The IUPAC name of 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline (CID 61025129) is 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline.
What is the SMILES notation for 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline?
The canonical SMILES for 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline is COc1ccc(-c2ccc(N)c(F)c2)c(OC)c1OC.
What is the InChIKey of 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline?
The InChIKey is ZUQBXDIQJUEWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-18-13-7-5-10(14(19-2)15(13)20-3)9-4-6-12(17)11(16)8-9/h4-8H,17H2,1-3H3.
What are the key properties of 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline?
2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline has a molecular weight of 277.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2,3,4-trimethoxyphenyl)aniline is sourced from PubChem (CID 61025129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).