(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine

C15H18BrNO2S — CID 43464721

IUPAC(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine
SMILESCCOc1cc(Br)c(C(N)c2cccs2)cc1OCC
InChIInChI=1S/C15H18BrNO2S/c1-3-18-12-8-10(11(16)9-13(12)19-4-2)15(17)14-6-5-7-20-14/h5-9,15H,3-4,17H2,1-2H3
InChIKeyZKHODXFOTXIFJH-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.36
Rot. Bonds6

About (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine

(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine (PubChem CID 43464721) has the molecular formula C15H18BrNO2S and a molecular weight of 356.29 g/mol. Its IUPAC name is (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine
PubChem CID43464721
Molecular FormulaC15H18BrNO2S
Molecular Weight356.29 g/mol
Exact Mass355.02
IUPAC Name(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine
SMILESCCOc1cc(Br)c(C(N)c2cccs2)cc1OCC
InChIInChI=1S/C15H18BrNO2S/c1-3-18-12-8-10(11(16)9-13(12)19-4-2)15(17)14-6-5-7-20-14/h5-9,15H,3-4,17H2,1-2H3
InChIKeyZKHODXFOTXIFJH-UHFFFAOYSA-N
XLogP4.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bromo-(2-bromo-4,5-diethoxyphenyl)methyl]thiophene
CID 63441726
(S)-(4-bromo-2,5-dimethoxyphenyl)-thiophen-2-ylmethanamine;hydrochloride
CID 171214723
2-[(S)-amino(thiophen-2-yl)methyl]-6-ethoxyphenol;hydrochloride
CID 171216033
(1R)-1-(2-bromo-4,5-diethoxyphenyl)propan-1-amine
CID 82759031
2-(3,4-diethoxyphenyl)-1-thiophen-2-ylethanamine
CID 21157649
5-[amino(thiophen-2-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62381378
(S)-(6-bromo-1,3-benzodioxol-5-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171213203
(S)-(2-ethoxynaphthalen-1-yl)-thiophen-2-ylmethanamine;hydrochloride
CID 171213408
2-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]thiophene
CID 61085407
(2-methoxyphenyl)-thiophen-2-ylmethanamine
CID 43186740
(2-bromo-4,5-diethoxyphenyl)-cyclopropylmethanamine
CID 4661374
(3-bromothiophen-2-yl)-(3,4-diethoxyphenyl)methanamine
CID 63797552

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine?
The IUPAC name of (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine (CID 43464721) is (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine.
What is the SMILES notation for (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine?
The canonical SMILES for (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine is CCOc1cc(Br)c(C(N)c2cccs2)cc1OCC.
What is the InChIKey of (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine?
The InChIKey is ZKHODXFOTXIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2S/c1-3-18-12-8-10(11(16)9-13(12)19-4-2)15(17)14-6-5-7-20-14/h5-9,15H,3-4,17H2,1-2H3.
What are the key properties of (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine?
(2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine has a molecular weight of 356.29 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4,5-diethoxyphenyl)-thiophen-2-ylmethanamine is sourced from PubChem (CID 43464721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).