3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride

C16H25ClN2O — CID 120610960

IUPAC3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCCC1CC(C)CN1C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-14-10-12(2)11-18(14)16(19)9-8-13-6-4-5-7-15(13)17;/h4-7,12,14H,3,8-11,17H2,1-2H3;1H
InChIKeyAZXXFBHQOPLXRC-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.27
Rot. Bonds4

About 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride

3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride (PubChem CID 120610960) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride
PubChem CID120610960
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCCC1CC(C)CN1C(=O)CCc1ccccc1N.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-14-10-12(2)11-18(14)16(19)9-8-13-6-4-5-7-15(13)17;/h4-7,12,14H,3,8-11,17H2,1-2H3;1H
InChIKeyAZXXFBHQOPLXRC-UHFFFAOYSA-N
XLogP3.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.27
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-ethyl-4-methylpyrrolidin-1-yl)propan-1-one
CID 120610961
3-(2-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)propan-1-one
CID 54885747
3-(2-aminophenyl)-1-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)propan-1-one;hydrochloride
CID 120609700
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
1-[3-(2-aminophenyl)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 107273458
2-(2-aminophenyl)-1-(2,3,5-trimethylpiperidin-1-yl)ethanone
CID 114591829
3-(2-aminophenyl)-1-(2,3-dimethylpiperazin-1-yl)propan-1-one
CID 122081287
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
CID 43574117
4-[3-(2-aminophenyl)propanoyl]-3-ethylpiperazine-2,6-dione
CID 66067254
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
3-(2-aminophenyl)-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 120608334
3-(2-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62969229

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride (CID 120610960) is 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride is CCC1CC(C)CN1C(=O)CCc1ccccc1N.Cl.
What is the InChIKey of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is AZXXFBHQOPLXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-3-14-10-12(2)11-18(14)16(19)9-8-13-6-4-5-7-15(13)17;/h4-7,12,14H,3,8-11,17H2,1-2H3;1H.
What are the key properties of 3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride?
3-(2-aminophenyl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 3.27, 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-ethyl-4-methylpyrrolidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 120610960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).