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

C7H11NO2 — CID 117126795

IUPACN-[(5-methylfuran-2-yl)methoxy]methanamine
SMILESCNOCc1ccc(C)o1
InChIInChI=1S/C7H11NO2/c1-6-3-4-7(10-6)5-9-8-2/h3-4,8H,5H2,1-2H3
InChIKeyXPQKDHLQNFHNDA-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.24
Rot. Bonds3

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

N-[(5-methylfuran-2-yl)methoxy]methanamine (PubChem CID 117126795) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methoxy]methanamine.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methoxy]methanamine
PubChem CID117126795
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-[(5-methylfuran-2-yl)methoxy]methanamine
SMILESCNOCc1ccc(C)o1
InChIInChI=1S/C7H11NO2/c1-6-3-4-7(10-6)5-9-8-2/h3-4,8H,5H2,1-2H3
InChIKeyXPQKDHLQNFHNDA-UHFFFAOYSA-N
XLogP1.24
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.24
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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Related Compounds

N-[2-(5-methylfuran-2-yl)ethoxy]methanamine
CID 117126878
N-[(5-chlorofuran-2-yl)methoxy]methanamine
CID 117126796
chromium;formaldehyde;2-(methoxymethyl)-5-methylfuran
CID 173392423
ethoxyethane;2-(ethoxymethyl)-5-methylfuran
CID 118958545
(5-methylfuran-2-yl)methyl formate
CID 58489131
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
N-methyl-1-[3-[(5-methylfuran-2-yl)methoxy]phenyl]methanamine
CID 106486033
2-[(5-methylfuran-2-yl)methoxy]phenol
CID 43143474
2-methyl-5-(octoxymethyl)furan
CID 21314380
azane;(5-methylfuran-2-yl)methanol
CID 175565780
3-[2-[(5-methylfuran-2-yl)methoxy]ethoxy]propan-1-amine
CID 44720293

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methoxy]methanamine?
The IUPAC name of N-[(5-methylfuran-2-yl)methoxy]methanamine (CID 117126795) is N-[(5-methylfuran-2-yl)methoxy]methanamine.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methoxy]methanamine?
The canonical SMILES for N-[(5-methylfuran-2-yl)methoxy]methanamine is CNOCc1ccc(C)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methoxy]methanamine?
The InChIKey is XPQKDHLQNFHNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-6-3-4-7(10-6)5-9-8-2/h3-4,8H,5H2,1-2H3.
What are the key properties of N-[(5-methylfuran-2-yl)methoxy]methanamine?
N-[(5-methylfuran-2-yl)methoxy]methanamine has a molecular weight of 141.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methoxy]methanamine is sourced from PubChem (CID 117126795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).