(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine

C13H13Br2NO — CID 79095600

IUPAC(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(Br)ccc2Br)o1
InChIInChI=1S/C13H13Br2NO/c1-2-9-4-6-12(17-9)13(16)10-7-8(14)3-5-11(10)15/h3-7,13H,2,16H2,1H3
InChIKeyJEVCFBCEWHGJPI-UHFFFAOYSA-N
MW359.06 g/mol
LogP4.42
Rot. Bonds3

About (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine

(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine (PubChem CID 79095600) has the molecular formula C13H13Br2NO and a molecular weight of 359.06 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
PubChem CID79095600
Molecular FormulaC13H13Br2NO
Molecular Weight359.06 g/mol
Exact Mass356.94
IUPAC Name(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
SMILESCCc1ccc(C(N)c2cc(Br)ccc2Br)o1
InChIInChI=1S/C13H13Br2NO/c1-2-9-4-6-12(17-9)13(16)10-7-8(14)3-5-11(10)15/h3-7,13H,2,16H2,1H3
InChIKeyJEVCFBCEWHGJPI-UHFFFAOYSA-N
XLogP4.42
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.06
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62345677
(3,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 107979824
(4-bromo-3-fluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 62344613
(4-bromo-3-chlorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 81290852
(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151889
(3-bromo-4-methylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 81472297
[2,4-di(propan-2-yl)phenyl]-(5-ethylfuran-2-yl)methanamine
CID 79094081
(2,5-diethylphenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095609
2-(4-bromo-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 115844529
(4-bromo-5-chlorothiophen-2-yl)-(5-ethylfuran-2-yl)methanamine
CID 102827978
N-[(5-bromo-2-methylphenyl)-(5-ethylfuran-2-yl)methyl]ethanamine
CID 65308243
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine (CID 79095600) is (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine is CCc1ccc(C(N)c2cc(Br)ccc2Br)o1.
What is the InChIKey of (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
The InChIKey is JEVCFBCEWHGJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO/c1-2-9-4-6-12(17-9)13(16)10-7-8(14)3-5-11(10)15/h3-7,13H,2,16H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine?
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine has a molecular weight of 359.06 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine is sourced from PubChem (CID 79095600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).