3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline

C13H10Br2FNO — CID 43379358

IUPAC3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCc1ccccc1Br
InChIInChI=1S/C13H10Br2FNO/c14-10-4-2-1-3-8(10)7-18-13-11(15)5-9(16)6-12(13)17/h1-6H,7,17H2
InChIKeyASTJCPCYEKTUQZ-UHFFFAOYSA-N
MW375.04 g/mol
LogP4.51
Rot. Bonds3

About 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline

3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline (PubChem CID 43379358) has the molecular formula C13H10Br2FNO and a molecular weight of 375.04 g/mol. Its IUPAC name is 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline.

Molecular Properties

Compound Name3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
PubChem CID43379358
Molecular FormulaC13H10Br2FNO
Molecular Weight375.04 g/mol
Exact Mass372.91
IUPAC Name3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
SMILESNc1cc(F)cc(Br)c1OCc1ccccc1Br
InChIInChI=1S/C13H10Br2FNO/c14-10-4-2-1-3-8(10)7-18-13-11(15)5-9(16)6-12(13)17/h1-6H,7,17H2
InChIKeyASTJCPCYEKTUQZ-UHFFFAOYSA-N
XLogP4.51
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.04
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
CID 43379258
3-bromo-5-fluoro-2-[(4-methylphenyl)methoxy]aniline
CID 43379387
3-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoroaniline
CID 61496215
3-bromo-5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 43379351
3-bromo-5-fluoro-2-[(3-methoxyphenyl)methoxy]aniline
CID 43379359
3-bromo-5-fluoro-2-(2-fluoroethoxy)aniline
CID 80698590
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
CID 107877984
3-bromo-2-[(3,4-dimethoxyphenyl)methoxy]-5-fluoroaniline
CID 43379349
3-bromo-5-fluoro-2-(2-pyridin-2-ylethoxy)aniline
CID 60892612
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline?
The IUPAC name of 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline (CID 43379358) is 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline.
What is the SMILES notation for 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline?
The canonical SMILES for 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline is Nc1cc(F)cc(Br)c1OCc1ccccc1Br.
What is the InChIKey of 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline?
The InChIKey is ASTJCPCYEKTUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2FNO/c14-10-4-2-1-3-8(10)7-18-13-11(15)5-9(16)6-12(13)17/h1-6H,7,17H2.
What are the key properties of 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline?
3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline has a molecular weight of 375.04 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline is sourced from PubChem (CID 43379358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).