4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one

C15H23N3O2 — CID 168659279

IUPAC4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
SMILESCCN(CCO)c1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-17(7-8-19)13-3-5-14(6-4-13)18-11-12(10-16)9-15(18)20/h3-6,12,19H,2,7-11,16H2,1H3
InChIKeyUWURJOKUTKIDJQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.82
Rot. Bonds6

About 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one

4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one (PubChem CID 168659279) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
PubChem CID168659279
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
SMILESCCN(CCO)c1ccc(N2CC(CN)CC2=O)cc1
InChIInChI=1S/C15H23N3O2/c1-2-17(7-8-19)13-3-5-14(6-4-13)18-11-12(10-16)9-15(18)20/h3-6,12,19H,2,7-11,16H2,1H3
InChIKeyUWURJOKUTKIDJQ-UHFFFAOYSA-N
XLogP0.82
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
CID 168507124
1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-4-sulfanylpyrrolidin-2-one
CID 168708205
4-(aminomethyl)-1-[4-(azepan-1-yl)phenyl]pyrrolidin-2-one
CID 168660723
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2-methylbenzoic acid
CID 168659844
tert-butyl N-[4-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168659109
N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
CID 168662022
4-(aminomethyl)-1-[3,5-bis(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168661123
4-(aminomethyl)-1-(4-phenyldiazenylphenyl)pyrrolidin-2-one
CID 168660724
4-(aminomethyl)-1-[4-(2-methoxyethoxy)phenyl]pyrrolidin-2-one
CID 112514915
2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
4-(aminomethyl)-1-[4-(2-methylimidazol-1-yl)phenyl]pyrrolidin-2-one
CID 168660067

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one (CID 168659279) is 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one is CCN(CCO)c1ccc(N2CC(CN)CC2=O)cc1.
What is the InChIKey of 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one?
The InChIKey is UWURJOKUTKIDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-17(7-8-19)13-3-5-14(6-4-13)18-11-12(10-16)9-15(18)20/h3-6,12,19H,2,7-11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one has a molecular weight of 277.37 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168659279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).