N-ethoxy-1-(furan-3-yl)methanamine

C7H11NO2 — CID 82709352

IUPACN-ethoxy-1-(furan-3-yl)methanamine
SMILESCCONCc1ccoc1
InChIInChI=1S/C7H11NO2/c1-2-10-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyHIBSNRGBUWBCRG-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.32
Rot. Bonds4

About N-ethoxy-1-(furan-3-yl)methanamine

N-ethoxy-1-(furan-3-yl)methanamine (PubChem CID 82709352) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is N-ethoxy-1-(furan-3-yl)methanamine.

Molecular Properties

Compound NameN-ethoxy-1-(furan-3-yl)methanamine
PubChem CID82709352
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC NameN-ethoxy-1-(furan-3-yl)methanamine
SMILESCCONCc1ccoc1
InChIInChI=1S/C7H11NO2/c1-2-10-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyHIBSNRGBUWBCRG-UHFFFAOYSA-N
XLogP1.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-yl)-N-propan-2-yloxymethanamine
CID 131223098
3-(ethoxymethyl)furan
CID 59154839
1-ethoxy-N-(furan-3-ylmethyl)propan-2-amine
CID 63204415
3-ethoxy-N-(furan-3-ylmethyl)propan-1-amine
CID 62997867
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-(furan-3-yl)-N-methylmethanamine;molecular hydrogen
CID 156853775
3-ethyl-N-(furan-3-ylmethyl)pentan-3-amine
CID 65039941
1-(4-bromophenyl)-N-ethoxymethanamine
CID 60702671
1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
CID 82707188
N-ethoxy-1-(1-ethylpyrrol-3-yl)methanamine
CID 82706620
N-(furan-3-ylmethyl)-2-methylpentan-3-amine
CID 63000846
3-ethylfuran;methanol
CID 174626479

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(furan-3-yl)methanamine?
The IUPAC name of N-ethoxy-1-(furan-3-yl)methanamine (CID 82709352) is N-ethoxy-1-(furan-3-yl)methanamine.
What is the SMILES notation for N-ethoxy-1-(furan-3-yl)methanamine?
The canonical SMILES for N-ethoxy-1-(furan-3-yl)methanamine is CCONCc1ccoc1.
What is the InChIKey of N-ethoxy-1-(furan-3-yl)methanamine?
The InChIKey is HIBSNRGBUWBCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-10-8-5-7-3-4-9-6-7/h3-4,6,8H,2,5H2,1H3.
What are the key properties of N-ethoxy-1-(furan-3-yl)methanamine?
N-ethoxy-1-(furan-3-yl)methanamine has a molecular weight of 141.17 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(furan-3-yl)methanamine is sourced from PubChem (CID 82709352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).