1-(4-bromothiophen-2-yl)-N-methylmethanamine

C6H8BrNS — CID 42282034

IUPAC1-(4-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-8-3-6-2-5(7)4-9-6/h2,4,8H,3H2,1H3
InChIKeyNAVCVBRGBJGGFK-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-bromothiophen-2-yl)-N-methylmethanamine

1-(4-bromothiophen-2-yl)-N-methylmethanamine (PubChem CID 42282034) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-N-methylmethanamine
PubChem CID42282034
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name1-(4-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1cc(Br)cs1
InChIInChI=1S/C6H8BrNS/c1-8-3-6-2-5(7)4-9-6/h2,4,8H,3H2,1H3
InChIKeyNAVCVBRGBJGGFK-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-N-methylmethanamine (CID 42282034) is 1-(4-bromothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-N-methylmethanamine is CNCc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-N-methylmethanamine?
The InChIKey is NAVCVBRGBJGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS/c1-8-3-6-2-5(7)4-9-6/h2,4,8H,3H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-N-methylmethanamine?
1-(4-bromothiophen-2-yl)-N-methylmethanamine has a molecular weight of 206.11 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 42282034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).