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

C16H24N2O2 — CID 104511003

IUPAC1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CCOc2ccccc2CN)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)14-9-16(19)18(11-14)7-8-20-15-6-4-3-5-13(15)10-17/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyMSZFWBQBADWSRD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.03
Rot. Bonds6

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

1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one (PubChem CID 104511003) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
PubChem CID104511003
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one
SMILESCC(C)C1CC(=O)N(CCOc2ccccc2CN)C1
InChIInChI=1S/C16H24N2O2/c1-12(2)14-9-16(19)18(11-14)7-8-20-15-6-4-3-5-13(15)10-17/h3-6,12,14H,7-11,17H2,1-2H3
InChIKeyMSZFWBQBADWSRD-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
2-[3-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)propoxy]benzonitrile
CID 104511822
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-[2-(2-oxo-4-propan-2-ylpyrrolidin-1-yl)ethoxy]benzoic acid
CID 104511173
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
4-[2-[2-(aminomethyl)phenoxy]ethyl]morpholin-3-one
CID 79468945
[2-[2-(1-methylazetidin-3-yl)ethoxy]phenyl]methanamine
CID 84686072
1-[2-(2-aminophenoxy)ethyl]-4-tert-butylpyrrolidin-2-one
CID 104510945
3-[3-[2-(aminomethyl)phenoxy]propyl]-1-methylimidazolidine-2,4-dione
CID 43253918
1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63102457
2-[2-(aminomethyl)phenoxy]-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103504976

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one (CID 104511003) is 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one is CC(C)C1CC(=O)N(CCOc2ccccc2CN)C1.
What is the InChIKey of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one?
The InChIKey is MSZFWBQBADWSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)14-9-16(19)18(11-14)7-8-20-15-6-4-3-5-13(15)10-17/h3-6,12,14H,7-11,17H2,1-2H3.
What are the key properties of 1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one?
1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-propan-2-ylpyrrolidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 2.03, 6 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-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 104511003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).