2-(2-butylpyrrol-1-yl)aniline

C14H18N2 — CID 154707141

IUPAC2-(2-butylpyrrol-1-yl)aniline
SMILESCCCCc1cccn1-c1ccccc1N
InChIInChI=1S/C14H18N2/c1-2-3-7-12-8-6-11-16(12)14-10-5-4-9-13(14)15/h4-6,8-11H,2-3,7,15H2,1H3
InChIKeyICTONWKTJGGDEN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.40
Rot. Bonds4

About 2-(2-butylpyrrol-1-yl)aniline

2-(2-butylpyrrol-1-yl)aniline (PubChem CID 154707141) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-butylpyrrol-1-yl)aniline.

Molecular Properties

Compound Name2-(2-butylpyrrol-1-yl)aniline
PubChem CID154707141
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2-butylpyrrol-1-yl)aniline
SMILESCCCCc1cccn1-c1ccccc1N
InChIInChI=1S/C14H18N2/c1-2-3-7-12-8-6-11-16(12)14-10-5-4-9-13(14)15/h4-6,8-11H,2-3,7,15H2,1H3
InChIKeyICTONWKTJGGDEN-UHFFFAOYSA-N
XLogP3.40
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.40
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-(2-butylpyrrol-1-yl)aniline?
The IUPAC name of 2-(2-butylpyrrol-1-yl)aniline (CID 154707141) is 2-(2-butylpyrrol-1-yl)aniline.
What is the SMILES notation for 2-(2-butylpyrrol-1-yl)aniline?
The canonical SMILES for 2-(2-butylpyrrol-1-yl)aniline is CCCCc1cccn1-c1ccccc1N.
What is the InChIKey of 2-(2-butylpyrrol-1-yl)aniline?
The InChIKey is ICTONWKTJGGDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-7-12-8-6-11-16(12)14-10-5-4-9-13(14)15/h4-6,8-11H,2-3,7,15H2,1H3.
What are the key properties of 2-(2-butylpyrrol-1-yl)aniline?
2-(2-butylpyrrol-1-yl)aniline has a molecular weight of 214.31 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylpyrrol-1-yl)aniline is sourced from PubChem (CID 154707141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).