[1-(5-bromothiophen-2-yl)cyclopropyl]methanamine

C8H10BrNS — CID 15611183

IUPAC[1-(5-bromothiophen-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(Br)s2)CC1
InChIInChI=1S/C8H10BrNS/c9-7-2-1-6(11-7)8(5-10)3-4-8/h1-2H,3-5,10H2
InChIKeyQCESDAMILXNHFY-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.50
Rot. Bonds2

About [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine

[1-(5-bromothiophen-2-yl)cyclopropyl]methanamine (PubChem CID 15611183) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-bromothiophen-2-yl)cyclopropyl]methanamine
PubChem CID15611183
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name[1-(5-bromothiophen-2-yl)cyclopropyl]methanamine
SMILESNCC1(c2ccc(Br)s2)CC1
InChIInChI=1S/C8H10BrNS/c9-7-2-1-6(11-7)8(5-10)3-4-8/h1-2H,3-5,10H2
InChIKeyQCESDAMILXNHFY-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine (CID 15611183) is [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine is NCC1(c2ccc(Br)s2)CC1.
What is the InChIKey of [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine?
The InChIKey is QCESDAMILXNHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c9-7-2-1-6(11-7)8(5-10)3-4-8/h1-2H,3-5,10H2.
What are the key properties of [1-(5-bromothiophen-2-yl)cyclopropyl]methanamine?
[1-(5-bromothiophen-2-yl)cyclopropyl]methanamine has a molecular weight of 232.15 g/mol, XLogP of 2.50, 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)cyclopropyl]methanamine is sourced from PubChem (CID 15611183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).