1-(5-bromothiophen-2-yl)-N-methylmethanamine

C6H8BrNS — CID 2449439

IUPAC1-(5-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3
InChIKeyCWURHLHTEJAXEA-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.23
Rot. Bonds2

About 1-(5-bromothiophen-2-yl)-N-methylmethanamine

1-(5-bromothiophen-2-yl)-N-methylmethanamine (PubChem CID 2449439) has the molecular formula C6H8BrNS and a molecular weight of 206.11 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-methylmethanamine
PubChem CID2449439
Molecular FormulaC6H8BrNS
Molecular Weight206.11 g/mol
Exact Mass204.96
IUPAC Name1-(5-bromothiophen-2-yl)-N-methylmethanamine
SMILESCNCc1ccc(Br)s1
InChIInChI=1S/C6H8BrNS/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3
InChIKeyCWURHLHTEJAXEA-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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Related Compounds

CID 436153
CID 436153
CID 677217
CID 677217
CID 2455007
CID 2455007
CID 4716479
CID 4716479
CID 23130577
CID 23130577
CID 458574
CID 458574
CID 20098884
CID 20098884
CID 42282037
CID 42282037
CID 961381
CID 961381
CID 4359396
CID 4359396
CID 4961947
CID 4961947
CID 7023634
CID 7023634

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-methylmethanamine (CID 2449439) is 1-(5-bromothiophen-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-methylmethanamine is CNCc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-methylmethanamine?
The InChIKey is CWURHLHTEJAXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrNS/c1-8-4-5-2-3-6(7)9-5/h2-3,8H,4H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-methylmethanamine?
1-(5-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-(5-bromothiophen-2-yl)-N-methylmethanamine is sourced from PubChem (CID 2449439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).