(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

C14H15Br2NO — CID 65151889

IUPAC(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C14H15Br2NO/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14H,17H2,1-3H3
InChIKeyOWBHHXFUMHLHTH-UHFFFAOYSA-N
MW373.09 g/mol
LogP4.78
Rot. Bonds2

About (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine

(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 65151889) has the molecular formula C14H15Br2NO and a molecular weight of 373.09 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID65151889
Molecular FormulaC14H15Br2NO
Molecular Weight373.09 g/mol
Exact Mass370.95
IUPAC Name(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCc1oc(C)c(C(N)c2cc(Br)ccc2Br)c1C
InChIInChI=1S/C14H15Br2NO/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14H,17H2,1-3H3
InChIKeyOWBHHXFUMHLHTH-UHFFFAOYSA-N
XLogP4.78
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.09
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[bromo-(2,5-dibromophenyl)methyl]-2,4,5-trimethylfuran
CID 65152041
(2,5-dibromophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 114368823
(2-bromo-5-methylphenyl)-(2,5-dibromophenyl)methanamine
CID 81110281
(2,5-dibromophenyl)-(5-ethylfuran-2-yl)methanamine
CID 79095600
(2,4,5-trimethylfuran-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990456
(5-bromo-2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 43378947
(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 107515381
(2,5-dibromophenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 63048420
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2,5-dibromophenyl)-(5-methylfuran-2-yl)methanol
CID 61099394
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115855177
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine (CID 65151889) is (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is Cc1oc(C)c(C(N)c2cc(Br)ccc2Br)c1C.
What is the InChIKey of (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is OWBHHXFUMHLHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2NO/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(15)4-5-12(11)16/h4-6,14H,17H2,1-3H3.
What are the key properties of (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine?
(2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 373.09 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 65151889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).