5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one

C12H16N2O2 — CID 107530708

IUPAC5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one
SMILESCc1cc(N)ccc1OCC1CCC(=O)N1
InChIInChI=1S/C12H16N2O2/c1-8-6-9(13)2-4-11(8)16-7-10-3-5-12(15)14-10/h2,4,6,10H,3,5,7,13H2,1H3,(H,14,15)
InChIKeyQFLKKHTYIWIEGN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.23
Rot. Bonds3

About 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one

5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one (PubChem CID 107530708) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one
PubChem CID107530708
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one
SMILESCc1cc(N)ccc1OCC1CCC(=O)N1
InChIInChI=1S/C12H16N2O2/c1-8-6-9(13)2-4-11(8)16-7-10-3-5-12(15)14-10/h2,4,6,10H,3,5,7,13H2,1H3,(H,14,15)
InChIKeyQFLKKHTYIWIEGN-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(5-oxopyrrolidin-2-yl)methoxy]benzonitrile
CID 114281510
5-[[2-[(1S)-1-aminoethyl]-4-bromophenoxy]methyl]pyrrolidin-2-one
CID 114281537
5-[[4-[(1R)-1-aminoethyl]-2-chlorophenoxy]methyl]pyrrolidin-2-one
CID 114281552
(5S)-5-[[4-[3-[4-(3-hydroxy-4,4-dimethylpentyl)-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]methyl]pyrrolidin-2-one
CID 58598438
5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one
CID 143178317
5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
CID 107530711
4-(3-methoxypropoxy)-3-methylaniline
CID 26190033
3-methyl-4-(1-oxaspiro[4.5]decan-2-ylmethoxy)aniline
CID 102896191
4-(2-cyclohexylethoxy)-3-methylaniline
CID 26189992
(5-oxopyrrolidin-2-yl)methyl 3-bromo-4-methylbenzoate
CID 71982580
(5-oxopyrrolidin-2-yl)methyl 2-methyl-5-methylsulfanylbenzoate
CID 78844119
(5S)-5-[[6-[amino(hydroxy)methyl]-7-methoxynaphthalen-1-yl]oxymethyl]pyrrolidin-2-one
CID 167037248

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one (CID 107530708) is 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one is Cc1cc(N)ccc1OCC1CCC(=O)N1.
What is the InChIKey of 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one?
The InChIKey is QFLKKHTYIWIEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-6-9(13)2-4-11(8)16-7-10-3-5-12(15)14-10/h2,4,6,10H,3,5,7,13H2,1H3,(H,14,15).
What are the key properties of 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one?
5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-2-methylphenoxy)methyl]pyrrolidin-2-one is sourced from PubChem (CID 107530708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).