4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one

C15H22N2O3 — CID 168659615

IUPAC4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCCN1CC(CN)CC1=O
InChIInChI=1S/C15H22N2O3/c1-19-13-5-2-3-6-14(13)20-8-4-7-17-11-12(10-16)9-15(17)18/h2-3,5-6,12H,4,7-11,16H2,1H3
InChIKeyPRIRFRORYUJAML-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.27
Rot. Bonds7

About 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one

4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one (PubChem CID 168659615) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one
PubChem CID168659615
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one
SMILESCOc1ccccc1OCCCN1CC(CN)CC1=O
InChIInChI=1S/C15H22N2O3/c1-19-13-5-2-3-6-14(13)20-8-4-7-17-11-12(10-16)9-15(17)18/h2-3,5-6,12H,4,7-11,16H2,1H3
InChIKeyPRIRFRORYUJAML-UHFFFAOYSA-N
XLogP1.27
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915924
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
4-(aminomethyl)-1-[2-(2-hydroxyphenyl)ethyl]pyrrolidin-2-one
CID 168660240
4-(aminomethyl)-1-(3-hydroxy-3-phenylpropyl)pyrrolidin-2-one
CID 168658985
4-(aminomethyl)-1-(2-chloro-6-methoxyphenyl)pyrrolidin-2-one
CID 168659664
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
(3S)-1-[2-(2-methoxyphenoxy)ethyl]-N-(oxan-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 97496449
4-[amino(phenyl)methyl]-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82175991
2-[3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propoxy]benzonitrile
CID 104511822

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one (CID 168659615) is 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one is COc1ccccc1OCCCN1CC(CN)CC1=O.
What is the InChIKey of 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one?
The InChIKey is PRIRFRORYUJAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-5-2-3-6-14(13)20-8-4-7-17-11-12(10-16)9-15(17)18/h2-3,5-6,12H,4,7-11,16H2,1H3.
What are the key properties of 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one has a molecular weight of 278.35 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[3-(2-methoxyphenoxy)propyl]pyrrolidin-2-one is sourced from PubChem (CID 168659615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).