2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone

C16H24N2O2 — CID 115958026

IUPAC2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1cccc(CC(C)N)c1OCC(=O)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-7-14(10-13(2)17)16(12)20-11-15(19)18-8-3-4-9-18/h5-7,13H,3-4,8-11,17H2,1-2H3
InChIKeyIDHQCPOVIADKLH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds5

About 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone

2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 115958026) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID115958026
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone
SMILESCc1cccc(CC(C)N)c1OCC(=O)N1CCCC1
InChIInChI=1S/C16H24N2O2/c1-12-6-5-7-14(10-13(2)17)16(12)20-11-15(19)18-8-3-4-9-18/h5-7,13H,3-4,8-11,17H2,1-2H3
InChIKeyIDHQCPOVIADKLH-UHFFFAOYSA-N
XLogP1.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-aminopropyl)-6-methylphenoxy]-N-cyclopentylacetamide
CID 115958124
2-[3-(2-aminopropyl)phenoxy]-1-(azepan-1-yl)ethanone
CID 60906670
3-methyl-2-(2-oxo-2-piperidin-1-ylethoxy)benzaldehyde
CID 97179232
3-[2-(2-aminopropyl)-6-methylphenoxy]-2-methylpropanamide
CID 112615431
3-[2-(2-aminopropyl)-6-methylphenoxy]-N-propan-2-ylpropanamide
CID 115958129
2-[2-methyl-6-(methylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 115952262
1-(4-aminopiperidin-1-yl)-2-(2,6-dimethylphenoxy)ethanone;hydrochloride
CID 119376715
2-[2-bromo-6-[(propan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 61390455
N-[(4S,5S)-1-[2-(2,6-dimethylphenoxy)acetyl]-5-hydroxyazepan-4-yl]-2-methylpropanamide
CID 110164350
2-(2,6-dichlorophenoxy)-1-pyrrolidin-1-ylethanone
CID 78765489
2-(2,6-dimethylphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39363116
1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156670

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone (CID 115958026) is 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone is Cc1cccc(CC(C)N)c1OCC(=O)N1CCCC1.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is IDHQCPOVIADKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-5-7-14(10-13(2)17)16(12)20-11-15(19)18-8-3-4-9-18/h5-7,13H,3-4,8-11,17H2,1-2H3.
What are the key properties of 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 276.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-methylphenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115958026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).