1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one

C14H21N3O — CID 117371582

IUPAC1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(N)c1cccc(N2CCN(C(C)C)C2=O)c1
InChIInChI=1S/C14H21N3O/c1-10(2)16-7-8-17(14(16)18)13-6-4-5-12(9-13)11(3)15/h4-6,9-11H,7-8,15H2,1-3H3
InChIKeyQFYQHANFXQABJN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.36
Rot. Bonds3

About 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one

1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one (PubChem CID 117371582) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
PubChem CID117371582
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one
SMILESCC(N)c1cccc(N2CCN(C(C)C)C2=O)c1
InChIInChI=1S/C14H21N3O/c1-10(2)16-7-8-17(14(16)18)13-6-4-5-12(9-13)11(3)15/h4-6,9-11H,7-8,15H2,1-3H3
InChIKeyQFYQHANFXQABJN-UHFFFAOYSA-N
XLogP2.36
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetic acid
CID 117444231
methyl 2-hydroxy-2-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]acetate
CID 117472059
3-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanal
CID 117438638
2-[3-(1-aminoethyl)phenyl]-3,4-dihydroisoquinolin-1-one
CID 83083752
1-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]cyclobutane-1-carboxylic acid
CID 117487167
1-propan-2-yl-3-(3-pyrrolidin-2-ylphenyl)imidazolidin-2-one
CID 117436394
4-[3-(2-oxo-3-propan-2-ylimidazolidin-1-yl)phenyl]butanoic acid
CID 117469221
1-(3-butan-2-ylphenyl)-3-methylimidazolidin-2-one
CID 126760369
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
2-[1,3-bis(3-propan-2-ylphenyl)imidazolidin-2-ylidene]-1,3-bis(3-propan-2-ylphenyl)imidazolidine
CID 118133804
3-amino-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 117412461
1-[3-[(1R)-1-aminoethyl]phenyl]azetidin-3-ol
CID 155687266

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one (CID 117371582) is 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one is CC(N)c1cccc(N2CCN(C(C)C)C2=O)c1.
What is the InChIKey of 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
The InChIKey is QFYQHANFXQABJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(2)16-7-8-17(14(16)18)13-6-4-5-12(9-13)11(3)15/h4-6,9-11H,7-8,15H2,1-3H3.
What are the key properties of 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one?
1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)phenyl]-3-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 117371582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).