2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

C16H25N3O2 — CID 63168515

IUPAC2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-3-18(4-2)14-9-10-19(11-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14H,3-4,9-12,17H2,1-2H3
InChIKeyRMHCCGZXWYHTEE-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.59
Rot. Bonds6

About 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone

2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (PubChem CID 63168515) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
PubChem CID63168515
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)COc2ccc(N)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-3-18(4-2)14-9-10-19(11-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14H,3-4,9-12,17H2,1-2H3
InChIKeyRMHCCGZXWYHTEE-UHFFFAOYSA-N
XLogP1.59
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 110442714
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenoxy)ethanone
CID 61102892
2-(4-aminophenoxy)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 62090187
1-[3-(diethylamino)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110441101
2-(4-aminophenoxy)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63971281
1-[3-(diethylamino)pyrrolidin-1-yl]-2-ethoxyethanone
CID 64592292
2-(4-aminophenoxy)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63157389
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
2-(3-aminopyrazol-1-yl)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone
CID 55160891

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone (CID 63168515) is 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is CCN(CC)C1CCN(C(=O)COc2ccc(N)cc2)C1.
What is the InChIKey of 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is RMHCCGZXWYHTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-18(4-2)14-9-10-19(11-14)16(20)12-21-15-7-5-13(17)6-8-15/h5-8,14H,3-4,9-12,17H2,1-2H3.
What are the key properties of 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone?
2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 291.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-[3-(diethylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 63168515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).