(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine

C14H11Br2NO2 — CID 104653863

IUPAC(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Br)o2)oc2ccc(Br)cc12
InChIInChI=1S/C14H11Br2NO2/c1-7-9-6-8(15)2-3-10(9)19-14(7)13(17)11-4-5-12(16)18-11/h2-6,13H,17H2,1H3
InChIKeyLMPZVNDKHZQRMI-UHFFFAOYSA-N
MW385.06 g/mol
LogP4.91
Rot. Bonds2

About (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine

(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 104653863) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
PubChem CID104653863
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1c(C(N)c2ccc(Br)o2)oc2ccc(Br)cc12
InChIInChI=1S/C14H11Br2NO2/c1-7-9-6-8(15)2-3-10(9)19-14(7)13(17)11-4-5-12(16)18-11/h2-6,13H,17H2,1H3
InChIKeyLMPZVNDKHZQRMI-UHFFFAOYSA-N
XLogP4.91
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dimethylphenyl)methanamine
CID 43149723
(5-bromo-3-methyl-1-benzofuran-2-yl)-(2-fluorophenyl)methanamine
CID 43149738
(5-bromo-3-methyl-1-benzofuran-2-yl)-(4-chlorophenyl)methanol
CID 3088260
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,5-dimethylfuran-3-yl)methanamine
CID 102949424
(5-bromo-3-methyl-1-benzofuran-2-yl)-cyclohexylmethanol
CID 66778775
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 113437676
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanamine
CID 102949457
(6-bromo-3-methyl-1-benzofuran-2-yl)-(2-methoxyphenyl)methanamine
CID 102949449
(5-bromothiophen-2-yl)-(3,5-dimethyl-1-benzofuran-2-yl)methanamine
CID 54897874
(3,5-dimethyl-1-benzofuran-2-yl)-(2,5-dimethylphenyl)methanamine
CID 43505413
(6-bromo-3-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 102949445
(6-bromo-3-methyl-1-benzofuran-2-yl)-(3-methoxyphenyl)methanamine
CID 102949451

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine (CID 104653863) is (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine is Cc1c(C(N)c2ccc(Br)o2)oc2ccc(Br)cc12.
What is the InChIKey of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is LMPZVNDKHZQRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c1-7-9-6-8(15)2-3-10(9)19-14(7)13(17)11-4-5-12(16)18-11/h2-6,13H,17H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine?
(5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 385.06 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(5-bromo-3-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 104653863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).