2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline

C13H20N2O — CID 2735361

IUPAC2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline
SMILESCOc1cccc(CCN2CCCC2)c1N
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-5-11(13(12)14)7-10-15-8-2-3-9-15/h4-6H,2-3,7-10,14H2,1H3
InChIKeyQXJOLMXARSDYNA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.92
Rot. Bonds4

About 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline

2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 2735361) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID2735361
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline
SMILESCOc1cccc(CCN2CCCC2)c1N
InChIInChI=1S/C13H20N2O/c1-16-12-6-4-5-11(13(12)14)7-10-15-8-2-3-9-15/h4-6H,2-3,7-10,14H2,1H3
InChIKeyQXJOLMXARSDYNA-UHFFFAOYSA-N
XLogP1.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline (CID 2735361) is 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline is COc1cccc(CCN2CCCC2)c1N.
What is the InChIKey of 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is QXJOLMXARSDYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-6-4-5-11(13(12)14)7-10-15-8-2-3-9-15/h4-6H,2-3,7-10,14H2,1H3.
What are the key properties of 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline?
2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 220.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 2735361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).