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

C12H18N2 — CID 22026053

IUPACN-(2-pyrrolidin-1-ylethyl)aniline
SMILESc1ccc(NCCN2CCCC2)cc1
InChIInChI=1S/C12H18N2/c1-2-6-12(7-3-1)13-8-11-14-9-4-5-10-14/h1-3,6-7,13H,4-5,8-11H2
InChIKeyNOJMAMCOSWQCTO-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.19
Rot. Bonds4

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

N-(2-pyrrolidin-1-ylethyl)aniline (PubChem CID 22026053) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)aniline.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)aniline
PubChem CID22026053
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(2-pyrrolidin-1-ylethyl)aniline
SMILESc1ccc(NCCN2CCCC2)cc1
InChIInChI=1S/C12H18N2/c1-2-6-12(7-3-1)13-8-11-14-9-4-5-10-14/h1-3,6-7,13H,4-5,8-11H2
InChIKeyNOJMAMCOSWQCTO-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-pyrrolidin-1-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)aniline?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)aniline (CID 22026053) is N-(2-pyrrolidin-1-ylethyl)aniline.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)aniline?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)aniline is c1ccc(NCCN2CCCC2)cc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)aniline?
The InChIKey is NOJMAMCOSWQCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-6-12(7-3-1)13-8-11-14-9-4-5-10-14/h1-3,6-7,13H,4-5,8-11H2.
What are the key properties of N-(2-pyrrolidin-1-ylethyl)aniline?
N-(2-pyrrolidin-1-ylethyl)aniline has a molecular weight of 190.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)aniline is sourced from PubChem (CID 22026053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).