1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one

C14H20N2O2 — CID 63103704

IUPAC1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CCOc2ccccc2CN)C1
InChIInChI=1S/C14H20N2O2/c1-11-8-14(17)16(10-11)6-7-18-13-5-3-2-4-12(13)9-15/h2-5,11H,6-10,15H2,1H3
InChIKeyCEMRQFIDLHAUAW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.39
Rot. Bonds5

About 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one

1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one (PubChem CID 63103704) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
PubChem CID63103704
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CCOc2ccccc2CN)C1
InChIInChI=1S/C14H20N2O2/c1-11-8-14(17)16(10-11)6-7-18-13-5-3-2-4-12(13)9-15/h2-5,11H,6-10,15H2,1H3
InChIKeyCEMRQFIDLHAUAW-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104511003
1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63102457
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237359
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79468945
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
CID 43253918
4-[2-[2-(aminomethyl)phenoxy]ethyl]piperazine-2,6-dione
CID 66085454

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one (CID 63103704) is 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one is CC1CC(=O)N(CCOc2ccccc2CN)C1.
What is the InChIKey of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is CEMRQFIDLHAUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-8-14(17)16(10-11)6-7-18-13-5-3-2-4-12(13)9-15/h2-5,11H,6-10,15H2,1H3.
What are the key properties of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one?
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63103704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).