[1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine

C16H16ClNO2 — CID 117468018

IUPAC[1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine
SMILESNCC1(c2c3ccoc3c(Cl)c3ccoc23)CCCC1
InChIInChI=1S/C16H16ClNO2/c17-13-11-4-8-19-14(11)12(10-3-7-20-15(10)13)16(9-18)5-1-2-6-16/h3-4,7-8H,1-2,5-6,9,18H2
InChIKeyXSLQRFMDMFZQIF-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.60
Rot. Bonds2

About [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine

[1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine (PubChem CID 117468018) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine
PubChem CID117468018
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine
SMILESNCC1(c2c3ccoc3c(Cl)c3ccoc23)CCCC1
InChIInChI=1S/C16H16ClNO2/c17-13-11-4-8-19-14(11)12(10-3-7-20-15(10)13)16(9-18)5-1-2-6-16/h3-4,7-8H,1-2,5-6,9,18H2
InChIKeyXSLQRFMDMFZQIF-UHFFFAOYSA-N
XLogP4.60
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine (CID 117468018) is [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine is NCC1(c2c3ccoc3c(Cl)c3ccoc23)CCCC1.
What is the InChIKey of [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine?
The InChIKey is XSLQRFMDMFZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c17-13-11-4-8-19-14(11)12(10-3-7-20-15(10)13)16(9-18)5-1-2-6-16/h3-4,7-8H,1-2,5-6,9,18H2.
What are the key properties of [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine?
[1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine has a molecular weight of 289.76 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorofuro[2,3-f][1]benzofuran-8-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117468018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).