N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine

C15H18BrNOS — CID 43740577

IUPACN-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
SMILESBrc1ccc(CNC(c2cccs2)C2CCCC2)o1
InChIInChI=1S/C15H18BrNOS/c16-14-8-7-12(18-14)10-17-15(11-4-1-2-5-11)13-6-3-9-19-13/h3,6-9,11,15,17H,1-2,4-5,10H2
InChIKeyWRLUVZDHMZLMBK-UHFFFAOYSA-N
MW340.29 g/mol
LogP5.12
Rot. Bonds5

About N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine

N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine (PubChem CID 43740577) has the molecular formula C15H18BrNOS and a molecular weight of 340.29 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
PubChem CID43740577
Molecular FormulaC15H18BrNOS
Molecular Weight340.29 g/mol
Exact Mass339.03
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
SMILESBrc1ccc(CNC(c2cccs2)C2CCCC2)o1
InChIInChI=1S/C15H18BrNOS/c16-14-8-7-12(18-14)10-17-15(11-4-1-2-5-11)13-6-3-9-19-13/h3,6-9,11,15,17H,1-2,4-5,10H2
InChIKeyWRLUVZDHMZLMBK-UHFFFAOYSA-N
XLogP5.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.29
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43789971
1-cyclopentyl-N-(furan-2-ylmethyl)-1-thiophen-2-ylmethanamine
CID 43740567
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 63452373
1-cyclopentyl-N-[(3,5-difluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 103851306
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 43740648
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylpropan-1-amine
CID 63476288
1-cyclopentyl-N-[(1-ethylpyrrol-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 66414954
N-[cyclopentyl(thiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43768039
1-cyclopentyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43740637
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]-1-thiophen-2-ylmethanamine
CID 107417281
1-cyclopentyl-N-[(5-methylpyrazin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 62847543

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine (CID 43740577) is N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine is Brc1ccc(CNC(c2cccs2)C2CCCC2)o1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
The InChIKey is WRLUVZDHMZLMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNOS/c16-14-8-7-12(18-14)10-17-15(11-4-1-2-5-11)13-6-3-9-19-13/h3,6-9,11,15,17H,1-2,4-5,10H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine?
N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine has a molecular weight of 340.29 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-1-cyclopentyl-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 43740577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).