1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one

C13H17N3O2 — CID 80580468

IUPAC1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one
SMILESCOc1cccc(C(N)Cn2ccn(C)c2=O)c1
InChIInChI=1S/C13H17N3O2/c1-15-6-7-16(13(15)17)9-12(14)10-4-3-5-11(8-10)18-2/h3-8,12H,9,14H2,1-2H3
InChIKeyTZOIPADRXITTBW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.90
Rot. Bonds4

About 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one

1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one (PubChem CID 80580468) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one
PubChem CID80580468
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one
SMILESCOc1cccc(C(N)Cn2ccn(C)c2=O)c1
InChIInChI=1S/C13H17N3O2/c1-15-6-7-16(13(15)17)9-12(14)10-4-3-5-11(8-10)18-2/h3-8,12H,9,14H2,1-2H3
InChIKeyTZOIPADRXITTBW-UHFFFAOYSA-N
XLogP0.90
TPSA62.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-amino-2-(3-methylphenyl)ethyl]-3-methylimidazol-2-one
CID 80580349
2-imidazol-1-yl-1-(3-methoxyphenyl)ethanamine
CID 16641645
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
3-[2-amino-2-(3-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63770404
1-[2-amino-2-(2-methylphenyl)ethyl]-3-methylimidazol-2-one
CID 80580385
1-[(2S)-2-aminopropyl]-3-methylimidazol-2-one
CID 103934874
(1S)-1,2-bis(3-methoxyphenyl)ethanamine
CID 40618709
3-methoxy-1-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 103024842
(1R)-1-(3-methoxyphenyl)hexan-1-amine
CID 94505781
1,2-bis(3-methoxyphenyl)ethanamine;hydrochloride
CID 54599738
(1R)-1-(3-methoxyphenyl)-4-methylpentan-1-amine;hydrochloride
CID 171200212

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one (CID 80580468) is 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one is COc1cccc(C(N)Cn2ccn(C)c2=O)c1.
What is the InChIKey of 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one?
The InChIKey is TZOIPADRXITTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15-6-7-16(13(15)17)9-12(14)10-4-3-5-11(8-10)18-2/h3-8,12H,9,14H2,1-2H3.
What are the key properties of 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one?
1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(3-methoxyphenyl)ethyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80580468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).