1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine

C10H14BrNS — CID 102844339

IUPAC1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc(Br)c(C)s1
InChIInChI=1S/C10H14BrNS/c1-6-9(11)4-10(13-6)8-3-7(8)5-12-2/h4,7-8,12H,3,5H2,1-2H3
InChIKeyWZLRKVHNWZRQTK-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.14
Rot. Bonds3

About 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine

1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine (PubChem CID 102844339) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine
PubChem CID102844339
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1CC1c1cc(Br)c(C)s1
InChIInChI=1S/C10H14BrNS/c1-6-9(11)4-10(13-6)8-3-7(8)5-12-2/h4,7-8,12H,3,5H2,1-2H3
InChIKeyWZLRKVHNWZRQTK-UHFFFAOYSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine (CID 102844339) is 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine is CNCC1CC1c1cc(Br)c(C)s1.
What is the InChIKey of 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine?
The InChIKey is WZLRKVHNWZRQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c1-6-9(11)4-10(13-6)8-3-7(8)5-12-2/h4,7-8,12H,3,5H2,1-2H3.
What are the key properties of 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine?
1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine has a molecular weight of 260.20 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-5-methylthiophen-2-yl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 102844339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).