2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine

C14H15BrN2O — CID 106542189

IUPAC2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine
SMILESNC1CCCC1Oc1nccc2c(Br)cccc12
InChIInChI=1S/C14H15BrN2O/c15-11-4-1-3-10-9(11)7-8-17-14(10)18-13-6-2-5-12(13)16/h1,3-4,7-8,12-13H,2,5-6,16H2
InChIKeyAEYONHNNZQUKNB-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.26
Rot. Bonds2

About 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine

2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine (PubChem CID 106542189) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine.

Molecular Properties

Compound Name2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine
PubChem CID106542189
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine
SMILESNC1CCCC1Oc1nccc2c(Br)cccc12
InChIInChI=1S/C14H15BrN2O/c15-11-4-1-3-10-9(11)7-8-17-14(10)18-13-6-2-5-12(13)16/h1,3-4,7-8,12-13H,2,5-6,16H2
InChIKeyAEYONHNNZQUKNB-UHFFFAOYSA-N
XLogP3.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine?
The IUPAC name of 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine (CID 106542189) is 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine.
What is the SMILES notation for 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine?
The canonical SMILES for 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine is NC1CCCC1Oc1nccc2c(Br)cccc12.
What is the InChIKey of 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine?
The InChIKey is AEYONHNNZQUKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-11-4-1-3-10-9(11)7-8-17-14(10)18-13-6-2-5-12(13)16/h1,3-4,7-8,12-13H,2,5-6,16H2.
What are the key properties of 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine?
2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine has a molecular weight of 307.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromoisoquinolin-1-yl)oxycyclopentan-1-amine is sourced from PubChem (CID 106542189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).