2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone

C15H22N2O2 — CID 170879092

IUPAC2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESNCCCc1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-9-3-4-13-5-7-14(8-6-13)19-12-15(18)17-10-1-2-11-17/h5-8H,1-4,9-12,16H2
InChIKeyGDBXENYTELMTBQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds6

About 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone

2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 170879092) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID170879092
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone
SMILESNCCCc1ccc(OCC(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c16-9-3-4-13-5-7-14(8-6-13)19-12-15(18)17-10-1-2-11-17/h5-8H,1-4,9-12,16H2
InChIKeyGDBXENYTELMTBQ-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
4-[2-(azocan-1-yl)-2-oxoethoxy]benzamide
CID 8566237
2-[4-(aminomethyl)phenoxy]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 28744964
4-[2-(azepan-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 24689917
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
4-amino-1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119291703
2-[4-(aminomethyl)phenoxy]-1-(4-methylazepan-1-yl)ethanone
CID 63622570
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 2355354

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone (CID 170879092) is 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone is NCCCc1ccc(OCC(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is GDBXENYTELMTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-9-3-4-13-5-7-14(8-6-13)19-12-15(18)17-10-1-2-11-17/h5-8H,1-4,9-12,16H2.
What are the key properties of 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone?
2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 262.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 170879092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).