4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one

C14H20N2O2 — CID 82159582

IUPAC4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1CCN1CC(N)CC1=O
InChIInChI=1S/C14H20N2O2/c1-10-3-4-13(18-2)11(7-10)5-6-16-9-12(15)8-14(16)17/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyBFMBNFFBFPUATB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.11
Rot. Bonds4

About 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one

4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 82159582) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
PubChem CID82159582
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1CCN1CC(N)CC1=O
InChIInChI=1S/C14H20N2O2/c1-10-3-4-13(18-2)11(7-10)5-6-16-9-12(15)8-14(16)17/h3-4,7,12H,5-6,8-9,15H2,1-2H3
InChIKeyBFMBNFFBFPUATB-UHFFFAOYSA-N
XLogP1.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159584
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168700170
1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711540
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702642
(3S)-1-[(2-methoxy-5-methylphenyl)methyl]pyrrolidin-3-amine
CID 81492387
[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681596
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one (CID 82159582) is 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C)cc1CCN1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is BFMBNFFBFPUATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-4-13(18-2)11(7-10)5-6-16-9-12(15)8-14(16)17/h3-4,7,12H,5-6,8-9,15H2,1-2H3.
What are the key properties of 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 82159582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).