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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Related Compounds

2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline;2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine
CID 160809863
4-chloro-2,6-di(propan-2-yl)aniline
CID 10889198
4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
bis(4-[4-amino-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)aniline);sulfur dioxide
CID 166682313
2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine
CID 160663340
4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]propyl]-2,6-di(propan-2-yl)aniline
CID 70421287
2-[4-amino-3,5-di(propan-2-yl)phenyl]propane-1,3-diol
CID 151143886
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
4-(4-amino-3-methyl-5-propan-2-ylphenyl)-2-methyl-6-propan-2-ylaniline
CID 139432981
4-amino-3,5-di(propan-2-yl)benzonitrile;4-bromo-3,5-di(propan-2-yl)benzonitrile
CID 163443828
2-chloro-4-morpholin-4-yl-6-propan-2-ylaniline
CID 91671967
2-amino-3,4,5-tri(propan-2-yl)benzenethiol
CID 134347258

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).