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

C11H17F3N2O2 — CID 106705471

IUPAC2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-17-6-4-15-7-10-3-2-5-16(10)9-18-8-11(12,13)14/h2-3,5,15H,4,6-9H2,1H3
InChIKeyNMBGJWCVXRUXAE-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.76
Rot. Bonds8

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

2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine (PubChem CID 106705471) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine
PubChem CID106705471
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC Name2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine
SMILESCOCCNCc1cccn1COCC(F)(F)F
InChIInChI=1S/C11H17F3N2O2/c1-17-6-4-15-7-10-3-2-5-16(10)9-18-8-11(12,13)14/h2-3,5,15H,4,6-9H2,1H3
InChIKeyNMBGJWCVXRUXAE-UHFFFAOYSA-N
XLogP1.76
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.76
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-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine (CID 106705471) is 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine is COCCNCc1cccn1COCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
The InChIKey is NMBGJWCVXRUXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-17-6-4-15-7-10-3-2-5-16(10)9-18-8-11(12,13)14/h2-3,5,15H,4,6-9H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine has a molecular weight of 266.26 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2,2,2-trifluoroethoxymethyl)pyrrol-2-yl]methyl]ethanamine is sourced from PubChem (CID 106705471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).