3-phenyl-4-pyrrolidin-1-ylaniline

C16H18N2 — CID 18371751

IUPAC3-phenyl-4-pyrrolidin-1-ylaniline
SMILESNc1ccc(N2CCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C16H18N2/c17-14-8-9-16(18-10-4-5-11-18)15(12-14)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11,17H2
InChIKeySVFWASFDFMUXAB-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.54
Rot. Bonds2

About 3-phenyl-4-pyrrolidin-1-ylaniline

3-phenyl-4-pyrrolidin-1-ylaniline (PubChem CID 18371751) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-phenyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name3-phenyl-4-pyrrolidin-1-ylaniline
PubChem CID18371751
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name3-phenyl-4-pyrrolidin-1-ylaniline
SMILESNc1ccc(N2CCCC2)c(-c2ccccc2)c1
InChIInChI=1S/C16H18N2/c17-14-8-9-16(18-10-4-5-11-18)15(12-14)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11,17H2
InChIKeySVFWASFDFMUXAB-UHFFFAOYSA-N
XLogP3.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.54
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': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of 3-phenyl-4-pyrrolidin-1-ylaniline (CID 18371751) is 3-phenyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 3-phenyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 3-phenyl-4-pyrrolidin-1-ylaniline is Nc1ccc(N2CCCC2)c(-c2ccccc2)c1.
What is the InChIKey of 3-phenyl-4-pyrrolidin-1-ylaniline?
The InChIKey is SVFWASFDFMUXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-14-8-9-16(18-10-4-5-11-18)15(12-14)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11,17H2.
What are the key properties of 3-phenyl-4-pyrrolidin-1-ylaniline?
3-phenyl-4-pyrrolidin-1-ylaniline has a molecular weight of 238.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 18371751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).