[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine

C13H10BrF2N — CID 79743323

IUPAC[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(-c2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C13H10BrF2N/c14-10-2-4-13(16)11(6-10)8-1-3-12(15)9(5-8)7-17/h1-6H,7,17H2
InChIKeyJLHMJVVJMSCMQX-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.85
Rot. Bonds2

About [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine

[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine (PubChem CID 79743323) has the molecular formula C13H10BrF2N and a molecular weight of 298.13 g/mol. Its IUPAC name is [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
PubChem CID79743323
Molecular FormulaC13H10BrF2N
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine
SMILESNCc1cc(-c2cc(Br)ccc2F)ccc1F
InChIInChI=1S/C13H10BrF2N/c14-10-2-4-13(16)11(6-10)8-1-3-12(15)9(5-8)7-17/h1-6H,7,17H2
InChIKeyJLHMJVVJMSCMQX-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methyl]propan-2-amine
CID 79742526
[5-(2-chlorophenyl)-2-fluorophenyl]methanamine
CID 61029562
[5-[(4-bromophenyl)methoxymethyl]-2-fluorophenyl]methanamine
CID 107879069
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
CID 62549550
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
CID 84604363
5-(5-bromo-2-fluorophenyl)-2-chlorophenol
CID 83130970
[5-(5-bromo-2-fluorophenyl)thiophen-2-yl]methanamine
CID 43556020
[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine
CID 82822985
4-(5-bromo-2-fluorophenyl)-N-methylaniline
CID 116962519
2-[3-(aminomethyl)-4-fluorophenyl]ethanamine
CID 55255604
[5-(2,6-dichlorophenyl)-2-fluorophenyl]methanamine
CID 134631446

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine (CID 79743323) is [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine is NCc1cc(-c2cc(Br)ccc2F)ccc1F.
What is the InChIKey of [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine?
The InChIKey is JLHMJVVJMSCMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N/c14-10-2-4-13(16)11(6-10)8-1-3-12(15)9(5-8)7-17/h1-6H,7,17H2.
What are the key properties of [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine?
[5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine has a molecular weight of 298.13 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromo-2-fluorophenyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 79743323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).