3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline

C13H10BrClFNO — CID 102615065

IUPAC3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
SMILESNc1cccc(Br)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO/c14-10-2-1-3-12(17)13(10)18-7-8-6-9(16)4-5-11(8)15/h1-6H,7,17H2
InChIKeyFRNSGFQVZBDHTO-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.40
Rot. Bonds3

About 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline

3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline (PubChem CID 102615065) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
PubChem CID102615065
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
SMILESNc1cccc(Br)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C13H10BrClFNO/c14-10-2-1-3-12(17)13(10)18-7-8-6-9(16)4-5-11(8)15/h1-6H,7,17H2
InChIKeyFRNSGFQVZBDHTO-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.58
LogP ≤ 54.40
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-[(2,5-dichlorophenyl)methoxy]aniline
CID 81499382
5-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]-3-methylaniline
CID 102615064
[3-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 61389545
2-[(2,5-difluorophenyl)methoxy]-3-fluoroaniline
CID 104831279
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 99823533
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 102615256
3-bromo-2-[(2,6-dichlorophenyl)methoxy]-5-fluoroaniline
CID 43379258
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
CID 107873441
3-bromo-2-[(2-bromophenyl)methoxy]-5-fluoroaniline
CID 43379358
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline?
The IUPAC name of 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline (CID 102615065) is 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline?
The canonical SMILES for 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline is Nc1cccc(Br)c1OCc1cc(F)ccc1Cl.
What is the InChIKey of 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline?
The InChIKey is FRNSGFQVZBDHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-10-2-1-3-12(17)13(10)18-7-8-6-9(16)4-5-11(8)15/h1-6H,7,17H2.
What are the key properties of 3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline?
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline has a molecular weight of 330.58 g/mol, XLogP of 4.40, 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-chloro-5-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 102615065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).