3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine

C16H18BrNS — CID 43633671

IUPAC3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCc2cccs2)C1
InChIInChI=1S/C16H18BrNS/c17-16-6-2-1-5-15(16)12-10-13(11-12)18-8-7-14-4-3-9-19-14/h1-6,9,12-13,18H,7-8,10-11H2
InChIKeyFXLKAFUHPWLLSI-UHFFFAOYSA-N
MW336.30 g/mol
LogP4.59
Rot. Bonds5

About 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine

3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine (PubChem CID 43633671) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
PubChem CID43633671
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine
SMILESBrc1ccccc1C1CC(NCCc2cccs2)C1
InChIInChI=1S/C16H18BrNS/c17-16-6-2-1-5-15(16)12-10-13(11-12)18-8-7-14-4-3-9-19-14/h1-6,9,12-13,18H,7-8,10-11H2
InChIKeyFXLKAFUHPWLLSI-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.30
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-bromophenyl)-N-(3-methyl-2-propan-2-ylbutyl)cyclobutan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine (CID 43633671) is 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine is Brc1ccccc1C1CC(NCCc2cccs2)C1.
What is the InChIKey of 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine?
The InChIKey is FXLKAFUHPWLLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c17-16-6-2-1-5-15(16)12-10-13(11-12)18-8-7-14-4-3-9-19-14/h1-6,9,12-13,18H,7-8,10-11H2.
What are the key properties of 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine?
3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine has a molecular weight of 336.30 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-(2-thiophen-2-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 43633671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).