3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one

C15H22N2O — CID 54885747

IUPAC3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCCN1C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O/c1-2-13-7-5-11-17(13)15(18)10-9-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11,16H2,1H3
InChIKeyPPIZUJYSKUQQGD-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.60
Rot. Bonds4

About 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one

3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one (PubChem CID 54885747) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
PubChem CID54885747
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
SMILESCCC1CCCN1C(=O)CCc1ccccc1N
InChIInChI=1S/C15H22N2O/c1-2-13-7-5-11-17(13)15(18)10-9-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11,16H2,1H3
InChIKeyPPIZUJYSKUQQGD-UHFFFAOYSA-N
XLogP2.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120612623
N-[[1-[3-(2-aminophenyl)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 120609023
1-[3-(2-aminophenyl)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107273461
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
CID 120610961
1-[3-(2-aminophenyl)propanoyl]-N-methylpyrrolidine-2-carboxamide;hydrochloride
CID 120609404
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120610960
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
3-(2-aminophenyl)-1-(2-phenylazepan-1-yl)propan-1-one
CID 120609446
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one;hydrochloride
CID 119631433

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one (CID 54885747) is 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one is CCC1CCCN1C(=O)CCc1ccccc1N.
What is the InChIKey of 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one?
The InChIKey is PPIZUJYSKUQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-13-7-5-11-17(13)15(18)10-9-12-6-3-4-8-14(12)16/h3-4,6,8,13H,2,5,7,9-11,16H2,1H3.
What are the key properties of 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one?
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 54885747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).