1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine

C13H23NO4 — CID 103181044

IUPAC1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COCCOCCCOC
InChIInChI=1S/C13H23NO4/c1-14-10-13-12(4-7-18-13)11-17-9-8-16-6-3-5-15-2/h4,7,14H,3,5-6,8-11H2,1-2H3
InChIKeyJMCLZKSMXIJKHP-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.57
Rot. Bonds11

About 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine

1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine (PubChem CID 103181044) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine
PubChem CID103181044
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1COCCOCCCOC
InChIInChI=1S/C13H23NO4/c1-14-10-13-12(4-7-18-13)11-17-9-8-16-6-3-5-15-2/h4,7,14H,3,5-6,8-11H2,1-2H3
InChIKeyJMCLZKSMXIJKHP-UHFFFAOYSA-N
XLogP1.57
TPSA52.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.57
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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Related Compounds

N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
CID 62456984
N-[[3-(3-methoxypropoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62442427
N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
CID 106449861
[2-[3-(2-methoxyethoxy)propoxymethyl]furan-3-yl]methanamine
CID 103406388
N-[[2-(3-methoxypropoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62440911
N-methyl-1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methanamine
CID 62459180
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N,N,2-trimethyl-1-[[2-(methylaminomethyl)furan-3-yl]methoxy]propan-2-amine
CID 79680056
N-methyl-1-[2-(4-methylpentoxymethyl)furan-3-yl]methanamine
CID 62455304
N-methyl-1-[3-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457855
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine (CID 103181044) is 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine is CNCc1occc1COCCOCCCOC.
What is the InChIKey of 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine?
The InChIKey is JMCLZKSMXIJKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-14-10-13-12(4-7-18-13)11-17-9-8-16-6-3-5-15-2/h4,7,14H,3,5-6,8-11H2,1-2H3.
What are the key properties of 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine?
1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine has a molecular weight of 257.33 g/mol, XLogP of 1.57, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-methoxypropoxy)ethoxymethyl]furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 103181044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).