N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C11H14ClNO2 — CID 80602680

IUPACN-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESClc1ccc(CNC2CC3CCC2O3)o1
InChIInChI=1S/C11H14ClNO2/c12-11-4-2-8(15-11)6-13-9-5-7-1-3-10(9)14-7/h2,4,7,9-10,13H,1,3,5-6H2
InChIKeyHMNWXSJTHIQWHN-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.34
Rot. Bonds3

About N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine

N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80602680) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80602680
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESClc1ccc(CNC2CC3CCC2O3)o1
InChIInChI=1S/C11H14ClNO2/c12-11-4-2-8(15-11)6-13-9-5-7-1-3-10(9)14-7/h2,4,7,9-10,13H,1,3,5-6H2
InChIKeyHMNWXSJTHIQWHN-UHFFFAOYSA-N
XLogP2.34
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80602680) is N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is Clc1ccc(CNC2CC3CCC2O3)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is HMNWXSJTHIQWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-11-4-2-8(15-11)6-13-9-5-7-1-3-10(9)14-7/h2,4,7,9-10,13H,1,3,5-6H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 227.69 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80602680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).