2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine

C13H24N2O3 — CID 66401871

IUPAC2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1CCOCCOC
InChIInChI=1S/C13H24N2O3/c1-16-8-5-14-12-13-4-3-6-15(13)7-9-18-11-10-17-2/h3-4,6,14H,5,7-12H2,1-2H3
InChIKeyMSTAMKFOEMXEGC-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.89
Rot. Bonds11

About 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine

2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine (PubChem CID 66401871) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
PubChem CID66401871
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1CCOCCOC
InChIInChI=1S/C13H24N2O3/c1-16-8-5-14-12-13-4-3-6-15(13)7-9-18-11-10-17-2/h3-4,6,14H,5,7-12H2,1-2H3
InChIKeyMSTAMKFOEMXEGC-UHFFFAOYSA-N
XLogP0.89
TPSA44.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.89
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

1-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 104565466
N-[[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]methyl]propan-1-amine
CID 103181721
N-[[1-(3,3-dimethylbutyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 66401868
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66401246
3-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]propanamide
CID 66402058
N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402405
N-[[1-(2-methoxyethyl)pyrrol-2-yl]methyl]ethanamine
CID 46784899
N-[[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methyl]-2-methoxyethanamine
CID 106717702
1-[1-[2-(3-methoxypropoxy)ethyl]pyrrol-2-yl]-N-methylmethanamine
CID 103181719
2-[2-[(2-methoxyethylamino)methyl]pyrrol-1-yl]-N,N-dimethylacetamide
CID 66402644
2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
CID 102940113
2-[2-[(1-propylpyrrol-2-yl)methylamino]ethoxy]ethanol
CID 66413467

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine (CID 66401871) is 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine is COCCNCc1cccn1CCOCCOC.
What is the InChIKey of 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
The InChIKey is MSTAMKFOEMXEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-16-8-5-14-12-13-4-3-6-15(13)7-9-18-11-10-17-2/h3-4,6,14H,5,7-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine has a molecular weight of 256.35 g/mol, XLogP of 0.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-[2-(2-methoxyethoxy)ethyl]pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 66401871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).