2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline

C16H22N2 — CID 138683559

IUPAC2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline
SMILESCC(C)c1cc(-n2cccc2)cc(C(C)C)c1N
InChIInChI=1S/C16H22N2/c1-11(2)14-9-13(18-7-5-6-8-18)10-15(12(3)4)16(14)17/h5-12H,17H2,1-4H3
InChIKeyFYPHYCTZJPQGRE-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.31
Rot. Bonds3

About 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline

2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline (PubChem CID 138683559) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline
PubChem CID138683559
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline
SMILESCC(C)c1cc(-n2cccc2)cc(C(C)C)c1N
InChIInChI=1S/C16H22N2/c1-11(2)14-9-13(18-7-5-6-8-18)10-15(12(3)4)16(14)17/h5-12H,17H2,1-4H3
InChIKeyFYPHYCTZJPQGRE-UHFFFAOYSA-N
XLogP4.31
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline?
The IUPAC name of 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline (CID 138683559) is 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline.
What is the SMILES notation for 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline?
The canonical SMILES for 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline is CC(C)c1cc(-n2cccc2)cc(C(C)C)c1N.
What is the InChIKey of 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline?
The InChIKey is FYPHYCTZJPQGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-11(2)14-9-13(18-7-5-6-8-18)10-15(12(3)4)16(14)17/h5-12H,17H2,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline?
2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline has a molecular weight of 242.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline is sourced from PubChem (CID 138683559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).