4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline

C13H10BrClFNO — CID 79705494

IUPAC4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline
SMILESNc1ccc(OCc2cc(F)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C13H10BrClFNO/c14-9-3-8(4-10(16)5-9)7-18-13-2-1-11(17)6-12(13)15/h1-6H,7,17H2
InChIKeySRYPEMBMJHCHKR-UHFFFAOYSA-N
MW330.58 g/mol
LogP4.40
Rot. Bonds3

About 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline

4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline (PubChem CID 79705494) has the molecular formula C13H10BrClFNO and a molecular weight of 330.58 g/mol. Its IUPAC name is 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline.

Molecular Properties

Compound Name4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline
PubChem CID79705494
Molecular FormulaC13H10BrClFNO
Molecular Weight330.58 g/mol
Exact Mass328.96
IUPAC Name4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline
SMILESNc1ccc(OCc2cc(F)cc(Br)c2)c(Cl)c1
InChIInChI=1S/C13H10BrClFNO/c14-9-3-8(4-10(16)5-9)7-18-13-2-1-11(17)6-12(13)15/h1-6H,7,17H2
InChIKeySRYPEMBMJHCHKR-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-chloro-4-[(3,5-difluorophenyl)methoxy]aniline
CID 86037311
1-bromo-3-[(2,4-dichlorophenoxy)methyl]-5-fluorobenzene
CID 79701275
3-[(3-bromo-5-fluorophenyl)methoxy]-4-methylaniline
CID 79704583
4-[(3-bromo-5-fluorophenyl)methoxy]-3-prop-2-enylaniline
CID 79705061
5-amino-2-[(3-bromo-5-fluorophenyl)methoxy]benzamide
CID 106956179
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523
2-[(3-bromo-5-fluorophenyl)methoxy]-4-chloroaniline
CID 79703808
[2-[(3-bromo-5-fluorophenyl)methoxy]-6-chlorophenyl]methanamine
CID 114318396
3-[(3-chloro-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 116688699
3-[(4-bromo-2-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646487
4-[(3,5-difluorophenyl)methoxy]-3-methoxyaniline
CID 105402158
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline?
The IUPAC name of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline (CID 79705494) is 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline.
What is the SMILES notation for 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline?
The canonical SMILES for 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline is Nc1ccc(OCc2cc(F)cc(Br)c2)c(Cl)c1.
What is the InChIKey of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline?
The InChIKey is SRYPEMBMJHCHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO/c14-9-3-8(4-10(16)5-9)7-18-13-2-1-11(17)6-12(13)15/h1-6H,7,17H2.
What are the key properties of 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline?
4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline 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 4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline is sourced from PubChem (CID 79705494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).