2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline

C14H13BrFNO2 — CID 107626993

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
SMILESCOc1ccc(-c2ccc(F)cc2N)c(OC)c1Br
InChIInChI=1S/C14H13BrFNO2/c1-18-12-6-5-10(14(19-2)13(12)15)9-4-3-8(16)7-11(9)17/h3-7H,17H2,1-2H3
InChIKeyVFGOLZKQACLHHS-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.85
Rot. Bonds3

About 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline

2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline (PubChem CID 107626993) has the molecular formula C14H13BrFNO2 and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
PubChem CID107626993
Molecular FormulaC14H13BrFNO2
Molecular Weight326.17 g/mol
Exact Mass325.01
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline
SMILESCOc1ccc(-c2ccc(F)cc2N)c(OC)c1Br
InChIInChI=1S/C14H13BrFNO2/c1-18-12-6-5-10(14(19-2)13(12)15)9-4-3-8(16)7-11(9)17/h3-7H,17H2,1-2H3
InChIKeyVFGOLZKQACLHHS-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.85
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

2-(3-bromo-2,4-dimethoxyphenyl)-4-chloroaniline
CID 103523654
2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
CID 103523994
[3-(3-bromo-2,4-dimethoxyphenyl)-4-fluorophenyl]methanamine
CID 103523744
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655
[3-(3-bromo-2,4-dimethoxyphenyl)-4-methylphenyl]methanamine
CID 103523742
4-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyrimidin-2-amine
CID 103524072
6-(3-bromo-2,4-dimethoxyphenyl)-2-methylpyrimidin-4-amine
CID 103524051
4-fluoro-2-methyl-5-(2,3,4-trimethoxyphenyl)aniline
CID 107593812
3-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzoic acid
CID 107957614
4-(3-bromo-2,4-dimethoxyphenyl)-2-fluorobenzaldehyde
CID 103523706
4-(3-bromo-2,4-dimethoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 103524033
5-chloro-2-(2,3-dimethoxyphenyl)aniline
CID 82794309

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline (CID 107626993) is 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline is COc1ccc(-c2ccc(F)cc2N)c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline?
The InChIKey is VFGOLZKQACLHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2/c1-18-12-6-5-10(14(19-2)13(12)15)9-4-3-8(16)7-11(9)17/h3-7H,17H2,1-2H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline?
2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline has a molecular weight of 326.17 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-5-fluoroaniline is sourced from PubChem (CID 107626993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).