1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one

C15H21N3O2 — CID 80579728

IUPAC1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCOc2ccccc2N)c1=O
InChIInChI=1S/C15H21N3O2/c1-12(2)18-10-9-17(15(18)19)8-5-11-20-14-7-4-3-6-13(14)16/h3-4,6-7,9-10,12H,5,8,11,16H2,1-2H3
InChIKeyDKZQUCNXBGIWCR-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds6

About 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one

1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80579728) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one
PubChem CID80579728
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(CCCOc2ccccc2N)c1=O
InChIInChI=1S/C15H21N3O2/c1-12(2)18-10-9-17(15(18)19)8-5-11-20-14-7-4-3-6-13(14)16/h3-4,6-7,9-10,12H,5,8,11,16H2,1-2H3
InChIKeyDKZQUCNXBGIWCR-UHFFFAOYSA-N
XLogP2.28
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-aminophenoxy)propyl]-4-methylpyrazine-2,3-dione
CID 62928552
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090
1-[3-(2-aminophenoxy)propyl]pyrazin-2-one
CID 112753689
1-(5-chloropentyl)-3-propan-2-ylimidazol-2-one
CID 80580219
1-(4-aminohexyl)-3-propan-2-ylimidazol-2-one
CID 106800526
1-(2-butoxyethyl)-3-propan-2-ylimidazol-2-one
CID 116625129
1-pent-4-enyl-3-propan-2-ylimidazol-2-one
CID 116625080
1-[4-(ethylamino)butyl]-3-propan-2-ylimidazol-2-one
CID 80582411
1-propan-2-yl-3-(3-pyrrolidin-1-ylpropyl)imidazol-2-one
CID 116625130
3-[2-(2-aminophenoxy)ethyl]-1-methylpyrimidine-2,4-dione
CID 63799617
1-[(3-aminophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80579355
4-(2-oxo-3-propan-2-ylimidazol-1-yl)butanehydrazide
CID 80582933

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one (CID 80579728) is 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(CCCOc2ccccc2N)c1=O.
What is the InChIKey of 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is DKZQUCNXBGIWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12(2)18-10-9-17(15(18)19)8-5-11-20-14-7-4-3-6-13(14)16/h3-4,6-7,9-10,12H,5,8,11,16H2,1-2H3.
What are the key properties of 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one?
1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminophenoxy)propyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80579728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).