4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline

C15H15BrFNO — CID 79704433

IUPAC4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-9-3-14(18)4-10(2)15(9)19-8-11-5-12(16)7-13(17)6-11/h3-7H,8,18H2,1-2H3
InChIKeyMDQSYZSIRBLCGV-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.37
Rot. Bonds3

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

4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline (PubChem CID 79704433) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline.

Molecular Properties

Compound Name4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline
PubChem CID79704433
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC Name4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline
SMILESCc1cc(N)cc(C)c1OCc1cc(F)cc(Br)c1
InChIInChI=1S/C15H15BrFNO/c1-9-3-14(18)4-10(2)15(9)19-8-11-5-12(16)7-13(17)6-11/h3-7H,8,18H2,1-2H3
InChIKeyMDQSYZSIRBLCGV-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.37
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

5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylbenzaldehyde
CID 115961884
3-[(3-bromo-5-fluorophenyl)methoxy]-4-methylaniline
CID 79704583
2-[2-[(3-bromo-5-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 115957707
[4-[(3,5-difluorophenyl)methoxy]-3,5-dimethylphenyl]methanol
CID 105404106
4-[(3-bromo-5-fluorophenyl)methoxy]-3-chloroaniline
CID 79705494
1-bromo-3-fluoro-5-[(4-fluorophenoxy)methyl]benzene
CID 79702949
(3-bromo-5-fluorophenyl)methyl 5-amino-2-methylbenzoate
CID 79708511
(3-bromo-5-fluorophenyl)methyl 3,5-diaminobenzoate
CID 79709480
3-bromo-5-methyl-4-phenylmethoxyaniline
CID 142435992
2-[(3-bromo-5-fluorophenyl)methoxy]-5-methylbenzaldehyde
CID 79705645
4-[(3-bromo-5-fluorophenyl)methoxy]-3-prop-2-enylaniline
CID 79705061
2-[(3-bromo-5-fluorophenyl)methoxy]-4-chloroaniline
CID 79703808

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline?
The IUPAC name of 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline (CID 79704433) is 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline.
What is the SMILES notation for 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline?
The canonical SMILES for 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline is Cc1cc(N)cc(C)c1OCc1cc(F)cc(Br)c1.
What is the InChIKey of 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline?
The InChIKey is MDQSYZSIRBLCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-3-14(18)4-10(2)15(9)19-8-11-5-12(16)7-13(17)6-11/h3-7H,8,18H2,1-2H3.
What are the key properties of 4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline?
4-[(3-bromo-5-fluorophenyl)methoxy]-3,5-dimethylaniline has a molecular weight of 324.19 g/mol, XLogP of 4.37, 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]-3,5-dimethylaniline is sourced from PubChem (CID 79704433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).