(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine

C13H13Br2NO3 — CID 106851976

IUPAC(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccoc2Br)c(OC)c1Br
InChIInChI=1S/C13H13Br2NO3/c1-17-9-4-3-7(12(18-2)10(9)14)11(16)8-5-6-19-13(8)15/h3-6,11H,16H2,1-2H3
InChIKeyLZDJHFMYDMUBET-UHFFFAOYSA-N
MW391.06 g/mol
LogP3.87
Rot. Bonds4

About (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine

(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine (PubChem CID 106851976) has the molecular formula C13H13Br2NO3 and a molecular weight of 391.06 g/mol. Its IUPAC name is (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine.

Molecular Properties

Compound Name(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
PubChem CID106851976
Molecular FormulaC13H13Br2NO3
Molecular Weight391.06 g/mol
Exact Mass388.93
IUPAC Name(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccoc2Br)c(OC)c1Br
InChIInChI=1S/C13H13Br2NO3/c1-17-9-4-3-7(12(18-2)10(9)14)11(16)8-5-6-19-13(8)15/h3-6,11H,16H2,1-2H3
InChIKeyLZDJHFMYDMUBET-UHFFFAOYSA-N
XLogP3.87
TPSA57.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.06
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylfuran-3-yl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43588995
2-bromo-3-[bromo-(2,3,4-trimethoxyphenyl)methyl]furan
CID 106855607
(3-bromo-2,4-dimethoxyphenyl)-(3-bromo-2-fluorophenyl)methanamine
CID 107950938
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
1-(3-bromo-2,4-dimethoxyphenyl)-2-methylsulfanylethanamine
CID 103523339
(3-bromo-2,4-dimethoxyphenyl)-(6-methoxypyrimidin-4-yl)methanamine
CID 103523603
(3-bromo-2,4-dimethoxyphenyl)-(3-chloro-2-pyridinyl)methanamine
CID 103523606
(3-bromo-2,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine
CID 103523504
(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
2-[5-[amino-(2-bromofuran-3-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 106858616
(2-bromofuran-3-yl)-(6-methoxynaphthalen-2-yl)methanamine
CID 106851764
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine?
The IUPAC name of (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine (CID 106851976) is (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine.
What is the SMILES notation for (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine?
The canonical SMILES for (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine is COc1ccc(C(N)c2ccoc2Br)c(OC)c1Br.
What is the InChIKey of (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine?
The InChIKey is LZDJHFMYDMUBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NO3/c1-17-9-4-3-7(12(18-2)10(9)14)11(16)8-5-6-19-13(8)15/h3-6,11H,16H2,1-2H3.
What are the key properties of (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine?
(3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine has a molecular weight of 391.06 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2,4-dimethoxyphenyl)-(2-bromofuran-3-yl)methanamine is sourced from PubChem (CID 106851976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).