5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline

C14H13BrFNO — CID 114252418

IUPAC5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2cc(Br)ccc2F)cc1N
InChIInChI=1S/C14H13BrFNO/c1-9-2-4-12(7-14(9)17)18-8-10-6-11(15)3-5-13(10)16/h2-7H,8,17H2,1H3
InChIKeyLBQINUXHHWXKBE-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.06
Rot. Bonds3

About 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline

5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline (PubChem CID 114252418) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline.

Molecular Properties

Compound Name5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
PubChem CID114252418
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
SMILESCc1ccc(OCc2cc(Br)ccc2F)cc1N
InChIInChI=1S/C14H13BrFNO/c1-9-2-4-12(7-14(9)17)18-8-10-6-11(15)3-5-13(10)16/h2-7H,8,17H2,1H3
InChIKeyLBQINUXHHWXKBE-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.06
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

2-bromo-4-[(5-bromo-2-fluorophenyl)methoxy]-1-fluorobenzene
CID 83233544
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methylaniline
CID 114252463
4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
5-bromo-2-[(3,4-dimethylphenoxy)methyl]aniline
CID 114380730
2-[(5-bromo-2-fluorophenyl)methoxy]-1,3-dimethylbenzene
CID 83057703
(1S)-1-[4-[(5-bromo-2-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107720483
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
1-[(5-bromo-2-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 64763343
1-bromo-4-[(4-bromo-2-fluorophenyl)methoxy]-2-methylbenzene
CID 83134047
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
2-bromo-1-[(5-bromo-2-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707288

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline?
The IUPAC name of 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline (CID 114252418) is 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline.
What is the SMILES notation for 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline?
The canonical SMILES for 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline is Cc1ccc(OCc2cc(Br)ccc2F)cc1N.
What is the InChIKey of 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline?
The InChIKey is LBQINUXHHWXKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-9-2-4-12(7-14(9)17)18-8-10-6-11(15)3-5-13(10)16/h2-7H,8,17H2,1H3.
What are the key properties of 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline?
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline has a molecular weight of 310.17 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline is sourced from PubChem (CID 114252418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).