2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

C14H20N2O2 — CID 61313803

IUPAC2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCC2)c(N)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-13(12(15)9-10)18-11(2)14(17)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8,15H2,1-2H3
InChIKeyIJDPADVZPGGUMH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one

2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 61313803) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID61313803
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccc(OC(C)C(=O)N2CCCC2)c(N)c1
InChIInChI=1S/C14H20N2O2/c1-10-5-6-13(12(15)9-10)18-11(2)14(17)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8,15H2,1-2H3
InChIKeyIJDPADVZPGGUMH-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-4-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 61312232
2-(2-amino-4-chlorophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43116101
2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 63322604
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 78947051
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504973
2-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 114416056
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
(2R)-1-pyrrolidin-1-yl-2-(2,3,5-trimethylphenoxy)propan-1-one
CID 38004866
2-(2-amino-4-methylphenoxy)-1-(4-methylphenyl)propan-1-one
CID 46307778

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one (CID 61313803) is 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is Cc1ccc(OC(C)C(=O)N2CCCC2)c(N)c1.
What is the InChIKey of 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IJDPADVZPGGUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-6-13(12(15)9-10)18-11(2)14(17)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8,15H2,1-2H3.
What are the key properties of 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one?
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 61313803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).