(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine

C14H12Br2FN — CID 63048420

IUPAC(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2FN/c1-8-2-4-10(17)7-11(8)14(18)12-6-9(15)3-5-13(12)16/h2-7,14H,18H2,1H3
InChIKeyKQGGWRNUXWTEJB-UHFFFAOYSA-N
MW373.06 g/mol
LogP4.71
Rot. Bonds2

About (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine

(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine (PubChem CID 63048420) has the molecular formula C14H12Br2FN and a molecular weight of 373.06 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
PubChem CID63048420
Molecular FormulaC14H12Br2FN
Molecular Weight373.06 g/mol
Exact Mass370.93
IUPAC Name(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
SMILESCc1ccc(F)cc1C(N)c1cc(Br)ccc1Br
InChIInChI=1S/C14H12Br2FN/c1-8-2-4-10(17)7-11(8)14(18)12-6-9(15)3-5-13(12)16/h2-7,14H,18H2,1H3
InChIKeyKQGGWRNUXWTEJB-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.06
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-chlorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 114027043
(2,5-dibromo-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 81473098
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(4-bromo-2,5-difluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 65307701
(3-bromo-2-fluorophenyl)-(5-bromo-2-methylphenyl)methanamine
CID 106647803
(2-bromo-5-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032943
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2-bromo-5-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanamine
CID 81045501
(2-bromo-3,4-difluorophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 107538630
(5-bromothiophen-3-yl)-(5-fluoro-2-methylphenyl)methanamine
CID 105142450
1-bromo-2-[bromo-(2,5-dimethylphenyl)methyl]-4-fluorobenzene
CID 63441756

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine (CID 63048420) is (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine is Cc1ccc(F)cc1C(N)c1cc(Br)ccc1Br.
What is the InChIKey of (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine?
The InChIKey is KQGGWRNUXWTEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN/c1-8-2-4-10(17)7-11(8)14(18)12-6-9(15)3-5-13(12)16/h2-7,14H,18H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine?
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine has a molecular weight of 373.06 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine is sourced from PubChem (CID 63048420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).