(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine

C13H13Br2NOS — CID 43345009

IUPAC(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1cc(Br)sc1Br
InChIInChI=1S/C13H13Br2NOS/c1-2-17-10-6-4-3-5-8(10)12(16)9-7-11(14)18-13(9)15/h3-7,12H,2,16H2,1H3
InChIKeyMICCAKOODWOPOJ-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.72
Rot. Bonds4

About (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine

(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine (PubChem CID 43345009) has the molecular formula C13H13Br2NOS and a molecular weight of 391.13 g/mol. Its IUPAC name is (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine.

Molecular Properties

Compound Name(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
PubChem CID43345009
Molecular FormulaC13H13Br2NOS
Molecular Weight391.13 g/mol
Exact Mass388.91
IUPAC Name(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine
SMILESCCOc1ccccc1C(N)c1cc(Br)sc1Br
InChIInChI=1S/C13H13Br2NOS/c1-2-17-10-6-4-3-5-8(10)12(16)9-7-11(14)18-13(9)15/h3-7,12H,2,16H2,1H3
InChIKeyMICCAKOODWOPOJ-UHFFFAOYSA-N
XLogP4.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dibromo-3-[chloro-(2-ethoxyphenyl)methyl]thiophene
CID 55198913
(2,5-dibromothiophen-3-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43345041
[(2,5-dibromothiophen-3-yl)-(2-propoxyphenyl)methyl]hydrazine
CID 107970581
(3-bromo-2-chlorophenyl)-(2-ethoxyphenyl)methanamine
CID 115853550
2,5-dibromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]thiophene
CID 107964720
(2-ethoxyphenyl)-(2-ethylphenyl)methanamine
CID 115853715
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
(2-tert-butylphenyl)-(2-ethoxyphenyl)methanamine
CID 115853781
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
(2,5-dimethoxyphenyl)-(2-ethoxyphenyl)methanamine
CID 43197204
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine?
The IUPAC name of (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine (CID 43345009) is (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine.
What is the SMILES notation for (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine?
The canonical SMILES for (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine is CCOc1ccccc1C(N)c1cc(Br)sc1Br.
What is the InChIKey of (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine?
The InChIKey is MICCAKOODWOPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NOS/c1-2-17-10-6-4-3-5-8(10)12(16)9-7-11(14)18-13(9)15/h3-7,12H,2,16H2,1H3.
What are the key properties of (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine?
(2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine has a molecular weight of 391.13 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromothiophen-3-yl)-(2-ethoxyphenyl)methanamine is sourced from PubChem (CID 43345009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).