2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone

C14H20N2O2 — CID 30118492

IUPAC2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](N)c1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-11(15)12-5-4-6-13(9-12)18-10-14(17)16-7-2-3-8-16/h4-6,9,11H,2-3,7-8,10,15H2,1H3/t11-/m1/s1
InChIKeyJSUYFIRWXLNGIC-LLVKDONJSA-N
MW248.33 g/mol
LogP1.71
Rot. Bonds4

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

2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 30118492) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID30118492
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESC[C@@H](N)c1cccc(OCC(=O)N2CCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-11(15)12-5-4-6-13(9-12)18-10-14(17)16-7-2-3-8-16/h4-6,9,11H,2-3,7-8,10,15H2,1H3/t11-/m1/s1
InChIKeyJSUYFIRWXLNGIC-LLVKDONJSA-N
XLogP1.71
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
2-[3-(2-aminobutyl)phenoxy]-1-piperidin-1-ylethanone
CID 60906554
2-(3-hydroxyphenoxy)-1-piperidin-1-ylethanone
CID 43143553
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
3-amino-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-3-phenylpropanamide
CID 119949591
methyl 3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 112786434
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]butanamide
CID 119713860
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
1-(azepan-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanone
CID 134007939
2-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440445
2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylethanone
CID 103599891

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 30118492) is 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone is C[C@@H](N)c1cccc(OCC(=O)N2CCCC2)c1.
What is the InChIKey of 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is JSUYFIRWXLNGIC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(15)12-5-4-6-13(9-12)18-10-14(17)16-7-2-3-8-16/h4-6,9,11H,2-3,7-8,10,15H2,1H3/t11-/m1/s1.
What are the key properties of 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 248.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1R)-1-aminoethyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 30118492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).