1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one

C15H23N3O2 — CID 62490292

IUPAC1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one
SMILESCCOc1ccc(C(C)N)cc1CN1CCN(C)C1=O
InChIInChI=1S/C15H23N3O2/c1-4-20-14-6-5-12(11(2)16)9-13(14)10-18-8-7-17(3)15(18)19/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyCPWQKGORQFWJQA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.97
Rot. Bonds5

About 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one

1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one (PubChem CID 62490292) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one
PubChem CID62490292
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one
SMILESCCOc1ccc(C(C)N)cc1CN1CCN(C)C1=O
InChIInChI=1S/C15H23N3O2/c1-4-20-14-6-5-12(11(2)16)9-13(14)10-18-8-7-17(3)15(18)19/h5-6,9,11H,4,7-8,10,16H2,1-3H3
InChIKeyCPWQKGORQFWJQA-UHFFFAOYSA-N
XLogP1.97
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethoxy-3-(ethoxymethyl)phenyl]ethanamine
CID 60861720
1-[3-[(3,3-dimethylmorpholin-4-yl)methyl]-4-ethoxyphenyl]ethanamine
CID 61433012
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]azepan-2-one
CID 60860741
1-[4-ethoxy-3-(2-methylbutylsulfonylmethyl)phenyl]ethanamine
CID 107759746
(2R)-2-amino-2-[4-ethoxy-3-(piperidin-1-ylmethyl)phenyl]ethanol
CID 66515789
4-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]morpholin-3-one
CID 79467860
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-[4-ethoxy-3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]ethanamine
CID 81058535
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
(1R)-1-(3-chloro-4-ethoxyphenyl)ethanamine
CID 51396913
1-[3-(butylsulfinylmethyl)-4-ethoxyphenyl]ethanamine
CID 64656167
1-[4-ethoxy-3-(3-methylbutylsulfanylmethyl)phenyl]ethanamine
CID 107764224

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one (CID 62490292) is 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one is CCOc1ccc(C(C)N)cc1CN1CCN(C)C1=O.
What is the InChIKey of 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one?
The InChIKey is CPWQKGORQFWJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-20-14-6-5-12(11(2)16)9-13(14)10-18-8-7-17(3)15(18)19/h5-6,9,11H,4,7-8,10,16H2,1-3H3.
What are the key properties of 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one?
1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 62490292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).