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

C16H22N2O2 — CID 102940113

IUPAC2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1COCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-19-11-9-17-12-16-8-5-10-18(16)14-20-13-15-6-3-2-4-7-15/h2-8,10,17H,9,11-14H2,1H3
InChIKeyDNZKZUCNMWSHBK-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.40
Rot. Bonds9

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

2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 102940113) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
PubChem CID102940113
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1COCc1ccccc1
InChIInChI=1S/C16H22N2O2/c1-19-11-9-17-12-16-8-5-10-18(16)14-20-13-15-6-3-2-4-7-15/h2-8,10,17H,9,11-14H2,1H3
InChIKeyDNZKZUCNMWSHBK-UHFFFAOYSA-N
XLogP2.40
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine (CID 102940113) is 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine is COCCNCc1cccn1COCc1ccccc1.
What is the InChIKey of 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is DNZKZUCNMWSHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-19-11-9-17-12-16-8-5-10-18(16)14-20-13-15-6-3-2-4-7-15/h2-8,10,17H,9,11-14H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 274.36 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(phenylmethoxymethyl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 102940113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).