4-(2-pyrrolidin-1-ylethyl)aniline

C12H18N2 — CID 6487047

IUPAC4-(2-pyrrolidin-1-ylethyl)aniline
SMILESNc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C12H18N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10,13H2
InChIKeyWAOKZNBDXFOXSA-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.91
Rot. Bonds3

About 4-(2-pyrrolidin-1-ylethyl)aniline

4-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 6487047) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID6487047
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name4-(2-pyrrolidin-1-ylethyl)aniline
SMILESNc1ccc(CCN2CCCC2)cc1
InChIInChI=1S/C12H18N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10,13H2
InChIKeyWAOKZNBDXFOXSA-UHFFFAOYSA-N
XLogP1.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of 4-(2-pyrrolidin-1-ylethyl)aniline (CID 6487047) is 4-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for 4-(2-pyrrolidin-1-ylethyl)aniline is Nc1ccc(CCN2CCCC2)cc1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is WAOKZNBDXFOXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-12-5-3-11(4-6-12)7-10-14-8-1-2-9-14/h3-6H,1-2,7-10,13H2.
What are the key properties of 4-(2-pyrrolidin-1-ylethyl)aniline?
4-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 190.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 6487047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).