1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one

C13H17N3O2 — CID 80579175

IUPAC1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCCOc2cccc(N)c2)c1=O
InChIInChI=1S/C13H17N3O2/c1-15-7-8-16(13(15)17)6-3-9-18-12-5-2-4-11(14)10-12/h2,4-5,7-8,10H,3,6,9,14H2,1H3
InChIKeyICKCSAHEYIWXOR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.24
Rot. Bonds5

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

1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one (PubChem CID 80579175) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
PubChem CID80579175
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one
SMILESCn1ccn(CCCOc2cccc(N)c2)c1=O
InChIInChI=1S/C13H17N3O2/c1-15-7-8-16(13(15)17)6-3-9-18-12-5-2-4-11(14)10-12/h2,4-5,7-8,10H,3,6,9,14H2,1H3
InChIKeyICKCSAHEYIWXOR-UHFFFAOYSA-N
XLogP1.24
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.24
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-(4-aminophenoxy)propyl]-3-methylimidazol-2-one
CID 80579177
1-[3-(3-aminophenoxy)propyl]-3-bromopyridin-2-one
CID 82147667
1-[3-(3-aminophenoxy)propyl]-5-chloropyridin-2-one
CID 82151863
1-[3-[3-(aminomethyl)phenoxy]propyl]-3-propylimidazol-2-one
CID 80579823
1-[3-(3-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758704
5-[3-(3-aminophenoxy)propyl]thieno[3,2-c]pyridin-4-one
CID 115911999
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
3-(3-pyrazol-1-ylpropoxy)aniline
CID 43174290
3-[3-(4-bromoindol-1-yl)propoxy]aniline
CID 115351430
2-[3-(3-aminophenoxy)propyl]-5-methylpyridazin-3-one
CID 106548303
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
1-[2-(2-aminophenoxy)ethyl]-3-methylimidazol-2-one
CID 80579090

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one (CID 80579175) is 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one is Cn1ccn(CCCOc2cccc(N)c2)c1=O.
What is the InChIKey of 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one?
The InChIKey is ICKCSAHEYIWXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-7-8-16(13(15)17)6-3-9-18-12-5-2-4-11(14)10-12/h2,4-5,7-8,10H,3,6,9,14H2,1H3.
What are the key properties of 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one?
1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminophenoxy)propyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80579175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).