N-[(5-chlorofuran-2-yl)methoxy]methanamine

C6H8ClNO2 — CID 117126796

IUPACN-[(5-chlorofuran-2-yl)methoxy]methanamine
SMILESCNOCc1ccc(Cl)o1
InChIInChI=1S/C6H8ClNO2/c1-8-9-4-5-2-3-6(7)10-5/h2-3,8H,4H2,1H3
InChIKeyKNYGOJPNIDXVKH-UHFFFAOYSA-N
MW161.59 g/mol
LogP1.58
Rot. Bonds3

About N-[(5-chlorofuran-2-yl)methoxy]methanamine

N-[(5-chlorofuran-2-yl)methoxy]methanamine (PubChem CID 117126796) has the molecular formula C6H8ClNO2 and a molecular weight of 161.59 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methoxy]methanamine
PubChem CID117126796
Molecular FormulaC6H8ClNO2
Molecular Weight161.59 g/mol
Exact Mass161.02
IUPAC NameN-[(5-chlorofuran-2-yl)methoxy]methanamine
SMILESCNOCc1ccc(Cl)o1
InChIInChI=1S/C6H8ClNO2/c1-8-9-4-5-2-3-6(7)10-5/h2-3,8H,4H2,1H3
InChIKeyKNYGOJPNIDXVKH-UHFFFAOYSA-N
XLogP1.58
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.59
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methoxy]methanamine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methoxy]methanamine (CID 117126796) is N-[(5-chlorofuran-2-yl)methoxy]methanamine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methoxy]methanamine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methoxy]methanamine is CNOCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methoxy]methanamine?
The InChIKey is KNYGOJPNIDXVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO2/c1-8-9-4-5-2-3-6(7)10-5/h2-3,8H,4H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methoxy]methanamine?
N-[(5-chlorofuran-2-yl)methoxy]methanamine has a molecular weight of 161.59 g/mol, XLogP of 1.58, 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)methoxy]methanamine is sourced from PubChem (CID 117126796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).