2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone

C14H21N3O2 — CID 117097629

IUPAC2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESNCCNc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c15-6-7-16-12-4-3-5-13(10-12)19-11-14(18)17-8-1-2-9-17/h3-5,10,16H,1-2,6-9,11,15H2
InChIKeyDBDGEJAZYIXFKH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.06
Rot. Bonds6

About 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone

2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 117097629) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID117097629
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESNCCNc1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H21N3O2/c15-6-7-16-12-4-3-5-13(10-12)19-11-14(18)17-8-1-2-9-17/h3-5,10,16H,1-2,6-9,11,15H2
InChIKeyDBDGEJAZYIXFKH-UHFFFAOYSA-N
XLogP1.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone with MolForge

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

Launch Full Analysis

Related Compounds

4,4-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 129255718
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
2-cyano-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]propanamide
CID 60530152
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
3-chloro-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 60532237
2-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylpropanamide;hydrochloride
CID 120588334
5-bromo-2-fluoro-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 34802754
4-[[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]carbamoylamino]butanoic acid
CID 122075528
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone (CID 117097629) is 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone is NCCNc1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is DBDGEJAZYIXFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-6-7-16-12-4-3-5-13(10-12)19-11-14(18)17-8-1-2-9-17/h3-5,10,16H,1-2,6-9,11,15H2.
What are the key properties of 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone?
2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 263.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethylamino)phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 117097629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).