(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine

C13H14Br2N2OS — CID 105026739

IUPAC(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(N)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C13H14Br2N2OS/c1-2-3-18-9-4-8(6-17-7-9)12(16)11-5-10(14)13(15)19-11/h4-7,12H,2-3,16H2,1H3
InChIKeyPOODFVGPRMAZEY-UHFFFAOYSA-N
MW406.14 g/mol
LogP4.51
Rot. Bonds5

About (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine

(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine (PubChem CID 105026739) has the molecular formula C13H14Br2N2OS and a molecular weight of 406.14 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine
PubChem CID105026739
Molecular FormulaC13H14Br2N2OS
Molecular Weight406.14 g/mol
Exact Mass403.92
IUPAC Name(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine
SMILESCCCOc1cncc(C(N)c2cc(Br)c(Br)s2)c1
InChIInChI=1S/C13H14Br2N2OS/c1-2-3-18-9-4-8(6-17-7-9)12(16)11-5-10(14)13(15)19-11/h4-7,12H,2-3,16H2,1H3
InChIKeyPOODFVGPRMAZEY-UHFFFAOYSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.14
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methanamine
CID 114330234
(5-bromo-4-methylthiophen-2-yl)-(5-propan-2-yloxy-3-pyridinyl)methanamine
CID 105027542
(4-bromo-5-chlorothiophen-2-yl)-(3-propoxyphenyl)methanamine
CID 102828054
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
[(4,5-dimethylthiophen-2-yl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330062
2-ethoxy-3-methyl-1-(5-propoxy-3-pyridinyl)butan-1-amine
CID 116720905
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026807
(5-propoxy-3-pyridinyl)-(thiolan-3-yl)methanamine
CID 105175729
1-(5-propoxy-3-pyridinyl)butane-1,2-diol
CID 103454750
[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105264229
1-(5-chlorothiophen-2-yl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026778

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine (CID 105026739) is (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine is CCCOc1cncc(C(N)c2cc(Br)c(Br)s2)c1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine?
The InChIKey is POODFVGPRMAZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2N2OS/c1-2-3-18-9-4-8(6-17-7-9)12(16)11-5-10(14)13(15)19-11/h4-7,12H,2-3,16H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine?
(4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine has a molecular weight of 406.14 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(5-propoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 105026739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).