2-(3-bromo-5-methylthiophen-2-yl)ethanamine

C7H10BrNS — CID 65283301

IUPAC2-(3-bromo-5-methylthiophen-2-yl)ethanamine
SMILESCc1cc(Br)c(CCN)s1
InChIInChI=1S/C7H10BrNS/c1-5-4-6(8)7(10-5)2-3-9/h4H,2-3,9H2,1H3
InChIKeySSZVETRFGBLNBF-UHFFFAOYSA-N
MW220.13 g/mol
LogP2.32
Rot. Bonds2

About 2-(3-bromo-5-methylthiophen-2-yl)ethanamine

2-(3-bromo-5-methylthiophen-2-yl)ethanamine (PubChem CID 65283301) has the molecular formula C7H10BrNS and a molecular weight of 220.13 g/mol. Its IUPAC name is 2-(3-bromo-5-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-methylthiophen-2-yl)ethanamine
PubChem CID65283301
Molecular FormulaC7H10BrNS
Molecular Weight220.13 g/mol
Exact Mass218.97
IUPAC Name2-(3-bromo-5-methylthiophen-2-yl)ethanamine
SMILESCc1cc(Br)c(CCN)s1
InChIInChI=1S/C7H10BrNS/c1-5-4-6(8)7(10-5)2-3-9/h4H,2-3,9H2,1H3
InChIKeySSZVETRFGBLNBF-UHFFFAOYSA-N
XLogP2.32
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-methylthiophen-2-yl)ethanamine (CID 65283301) is 2-(3-bromo-5-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-methylthiophen-2-yl)ethanamine is Cc1cc(Br)c(CCN)s1.
What is the InChIKey of 2-(3-bromo-5-methylthiophen-2-yl)ethanamine?
The InChIKey is SSZVETRFGBLNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNS/c1-5-4-6(8)7(10-5)2-3-9/h4H,2-3,9H2,1H3.
What are the key properties of 2-(3-bromo-5-methylthiophen-2-yl)ethanamine?
2-(3-bromo-5-methylthiophen-2-yl)ethanamine has a molecular weight of 220.13 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 65283301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).