1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone

C14H20N2O — CID 83987994

IUPAC1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCc1ccc(N)c(C(=O)CN2CCCC2)c1
InChIInChI=1S/C14H20N2O/c1-2-11-5-6-13(15)12(9-11)14(17)10-16-7-3-4-8-16/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyIYJZOBIXRQCEHJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.11
Rot. Bonds4

About 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone

1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 83987994) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID83987994
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCCc1ccc(N)c(C(=O)CN2CCCC2)c1
InChIInChI=1S/C14H20N2O/c1-2-11-5-6-13(15)12(9-11)14(17)10-16-7-3-4-8-16/h5-6,9H,2-4,7-8,10,15H2,1H3
InChIKeyIYJZOBIXRQCEHJ-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
1-(4-propylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219358
1-(2-bromo-4,5-dimethylphenyl)-2-pyrrolidin-1-ylethanone
CID 83988263
1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
CID 130983756
1-(5-bromo-2-ethoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82051150
2-(azocan-1-yl)-1-(2,4-dimethylphenyl)ethanone
CID 43219875
1-(5-bromo-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051148
1-(2,5-dichlorophenyl)-2-pyrrolidin-1-ylethanone
CID 43227584
1-(4-ethylphenyl)-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 107223659
1-(2-bromo-5-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 83988773
2-(azepan-1-yl)-1-(2,5-dichlorophenyl)ethanone
CID 43227244
3-[2-(2,5-diethylphenyl)-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 7277195

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone (CID 83987994) is 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone is CCc1ccc(N)c(C(=O)CN2CCCC2)c1.
What is the InChIKey of 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is IYJZOBIXRQCEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-11-5-6-13(15)12(9-11)14(17)10-16-7-3-4-8-16/h5-6,9H,2-4,7-8,10,15H2,1H3.
What are the key properties of 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone?
1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 232.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-ethylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 83987994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).