[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine

C12H21NO4 — CID 103406388

IUPAC[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
SMILESCOCCOCCCOCc1occc1CN
InChIInChI=1S/C12H21NO4/c1-14-7-8-15-4-2-5-16-10-12-11(9-13)3-6-17-12/h3,6H,2,4-5,7-10,13H2,1H3
InChIKeyUVXBDUYDPHKXIU-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.31
Rot. Bonds10

About [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine

[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine (PubChem CID 103406388) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
PubChem CID103406388
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
SMILESCOCCOCCCOCc1occc1CN
InChIInChI=1S/C12H21NO4/c1-14-7-8-15-4-2-5-16-10-12-11(9-13)3-6-17-12/h3,6H,2,4-5,7-10,13H2,1H3
InChIKeyUVXBDUYDPHKXIU-UHFFFAOYSA-N
XLogP1.31
TPSA66.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine?
The IUPAC name of [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine (CID 103406388) is [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine is COCCOCCCOCc1occc1CN.
What is the InChIKey of [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine?
The InChIKey is UVXBDUYDPHKXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-14-7-8-15-4-2-5-16-10-12-11(9-13)3-6-17-12/h3,6H,2,4-5,7-10,13H2,1H3.
What are the key properties of [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine?
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine has a molecular weight of 243.30 g/mol, XLogP of 1.31, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine is sourced from PubChem (CID 103406388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).