4-pyrrolidin-1-ylaniline

C10H14N2 — CID 808841

IUPAC4-pyrrolidin-1-ylaniline
SMILESNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H14N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2
InChIKeyURAARCWOADCWLA-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.87
Rot. Bonds1

About 4-pyrrolidin-1-ylaniline

4-pyrrolidin-1-ylaniline (PubChem CID 808841) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name4-pyrrolidin-1-ylaniline
PubChem CID808841
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-pyrrolidin-1-ylaniline
SMILESNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C10H14N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2
InChIKeyURAARCWOADCWLA-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylaniline?
The IUPAC name of 4-pyrrolidin-1-ylaniline (CID 808841) is 4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 4-pyrrolidin-1-ylaniline?
The canonical SMILES for 4-pyrrolidin-1-ylaniline is Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylaniline?
The InChIKey is URAARCWOADCWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2.
What are the key properties of 4-pyrrolidin-1-ylaniline?
4-pyrrolidin-1-ylaniline has a molecular weight of 162.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 808841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).