2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

C15H23N3O2 — CID 79589771

IUPAC2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cc(N(C)C)ccc1N)C(=O)N1CCCC1
InChIInChI=1S/C15H23N3O2/c1-11(15(19)18-8-4-5-9-18)20-14-10-12(17(2)3)6-7-13(14)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyHMBBLQLGDSEDNU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds4

About 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 79589771) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID79589771
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1cc(N(C)C)ccc1N)C(=O)N1CCCC1
InChIInChI=1S/C15H23N3O2/c1-11(15(19)18-8-4-5-9-18)20-14-10-12(17(2)3)6-7-13(14)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyHMBBLQLGDSEDNU-UHFFFAOYSA-N
XLogP1.72
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
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-(3-amino-2-methylphenoxy)-1-(azepan-1-yl)propan-1-one
CID 43437815
2-(5-amino-2-bromophenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 103009013
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
5-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 43379931
4-amino-2-(1-oxo-1-piperidin-1-ylpropan-2-yl)oxybenzoic acid
CID 106954912
2-(4-amino-2-fluoro-5-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 114416056
2-[2-amino-5-(dimethylamino)phenoxy]-N-(ethylcarbamoyl)propanamide
CID 79557592
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
2-[2-[(1R)-1-aminoethyl]-5-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 78947051

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (CID 79589771) is 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is CC(Oc1cc(N(C)C)ccc1N)C(=O)N1CCCC1.
What is the InChIKey of 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is HMBBLQLGDSEDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(15(19)18-8-4-5-9-18)20-14-10-12(17(2)3)6-7-13(14)16/h6-7,10-11H,4-5,8-9,16H2,1-3H3.
What are the key properties of 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(dimethylamino)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79589771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).