2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine

C13H14BrNOS — CID 65325066

IUPAC2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
SMILESCOc1ccc(Br)c(CC(N)c2ccsc2)c1
InChIInChI=1S/C13H14BrNOS/c1-16-11-2-3-12(14)10(6-11)7-13(15)9-4-5-17-8-9/h2-6,8,13H,7,15H2,1H3
InChIKeyASCGKGUJMGQKJI-UHFFFAOYSA-N
MW312.23 g/mol
LogP3.76
Rot. Bonds4

About 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine

2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine (PubChem CID 65325066) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
PubChem CID65325066
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine
SMILESCOc1ccc(Br)c(CC(N)c2ccsc2)c1
InChIInChI=1S/C13H14BrNOS/c1-16-11-2-3-12(14)10(6-11)7-13(15)9-4-5-17-8-9/h2-6,8,13H,7,15H2,1H3
InChIKeyASCGKGUJMGQKJI-UHFFFAOYSA-N
XLogP3.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312
2-(2-bromo-5-methoxyphenyl)-1-(3-ethylthiophen-2-yl)ethanamine
CID 115862188
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373
1-(4-bromo-2,6-difluorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanamine
CID 115862408
2-(2-bromo-5-methoxyphenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115862161
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-3-(4-bromophenyl)sulfanylpropan-2-amine
CID 66054706
N-[(2-bromo-5-methoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 65323547
3-(2-bromo-5-methoxyphenyl)-1,1-diethoxypropan-2-amine
CID 79495380
2-(2-bromo-5-methoxyphenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanamine
CID 105150953
2-(2-bromo-5-methoxyphenyl)-1-(6-methyl-2-pyridinyl)ethanamine
CID 65325616

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine (CID 65325066) is 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine is COc1ccc(Br)c(CC(N)c2ccsc2)c1.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine?
The InChIKey is ASCGKGUJMGQKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-16-11-2-3-12(14)10(6-11)7-13(15)9-4-5-17-8-9/h2-6,8,13H,7,15H2,1H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine?
2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine has a molecular weight of 312.23 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-thiophen-3-ylethanamine is sourced from PubChem (CID 65325066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).