N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

C13H18N2O2 — CID 2123608

IUPACN-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1ccccc1OCCNC1=NCCC1
InChIInChI=1S/C13H18N2O2/c1-16-11-5-2-3-6-12(11)17-10-9-15-13-7-4-8-14-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15)
InChIKeyQGRILUPITYMMQK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.86
Rot. Bonds5

About N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 2123608) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID2123608
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESCOc1ccccc1OCCNC1=NCCC1
InChIInChI=1S/C13H18N2O2/c1-16-11-5-2-3-6-12(11)17-10-9-15-13-7-4-8-14-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15)
InChIKeyQGRILUPITYMMQK-UHFFFAOYSA-N
XLogP1.86
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.86
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 N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 2123608) is N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is COc1ccccc1OCCNC1=NCCC1.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is QGRILUPITYMMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-16-11-5-2-3-6-12(11)17-10-9-15-13-7-4-8-14-13/h2-3,5-6H,4,7-10H2,1H3,(H,14,15).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 234.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 2123608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).