(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine

C13H10BrF2N — CID 66423670

IUPAC(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H10BrF2N/c14-10-4-9(6-12(16)7-10)13(17)8-2-1-3-11(15)5-8/h1-7,13H,17H2
InChIKeyICKLIXJNCUIOID-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.78
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine

(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine (PubChem CID 66423670) has the molecular formula C13H10BrF2N and a molecular weight of 298.13 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
PubChem CID66423670
Molecular FormulaC13H10BrF2N
Molecular Weight298.13 g/mol
Exact Mass297.00
IUPAC Name(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine
SMILESNC(c1cccc(F)c1)c1cc(F)cc(Br)c1
InChIInChI=1S/C13H10BrF2N/c14-10-4-9(6-12(16)7-10)13(17)8-2-1-3-11(15)5-8/h1-7,13H,17H2
InChIKeyICKLIXJNCUIOID-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052
(R)-(3-bromo-5-fluorophenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171223526
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(3-bromo-5-fluorophenyl)-quinolin-3-ylmethanamine
CID 66424075
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
(3,5-dibromo-2-pyridinyl)-(3-fluorophenyl)methanamine
CID 113398572
(3-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 66425066
(3-bromo-5-fluorophenyl)-(4-ethoxyphenyl)methanamine
CID 43248327
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114727611
(3-fluorophenyl)-thiophen-3-ylmethanamine
CID 60819674
(3-bromo-5-fluorophenyl)-(3-bromofuran-2-yl)methanamine
CID 66425063

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine?
The IUPAC name of (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine (CID 66423670) is (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine is NC(c1cccc(F)c1)c1cc(F)cc(Br)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine?
The InChIKey is ICKLIXJNCUIOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2N/c14-10-4-9(6-12(16)7-10)13(17)8-2-1-3-11(15)5-8/h1-7,13H,17H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine?
(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine has a molecular weight of 298.13 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(3-fluorophenyl)methanamine is sourced from PubChem (CID 66423670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).