2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline

C14H22N2O — CID 113392728

IUPAC2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline
SMILESCOc1cccc(N2CCCC2C(C)C)c1N
InChIInChI=1S/C14H22N2O/c1-10(2)11-7-5-9-16(11)12-6-4-8-13(17-3)14(12)15/h4,6,8,10-11H,5,7,9,15H2,1-3H3
InChIKeyPJGISGJEMMTUSU-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.90
Rot. Bonds3

About 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline

2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline (PubChem CID 113392728) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline
PubChem CID113392728
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline
SMILESCOc1cccc(N2CCCC2C(C)C)c1N
InChIInChI=1S/C14H22N2O/c1-10(2)11-7-5-9-16(11)12-6-4-8-13(17-3)14(12)15/h4,6,8,10-11H,5,7,9,15H2,1-3H3
InChIKeyPJGISGJEMMTUSU-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.90
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-propan-2-ylpyrrolidin-1-yl)aniline?
The IUPAC name of 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline (CID 113392728) is 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline?
The canonical SMILES for 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline is COc1cccc(N2CCCC2C(C)C)c1N.
What is the InChIKey of 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline?
The InChIKey is PJGISGJEMMTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)11-7-5-9-16(11)12-6-4-8-13(17-3)14(12)15/h4,6,8,10-11H,5,7,9,15H2,1-3H3.
What are the key properties of 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline?
2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline has a molecular weight of 234.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-propan-2-ylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 113392728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).