3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one

C14H20N2O2 — CID 81373632

IUPAC3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1cccc([C@H](C)NC2CCN(C)C2=O)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-4-6-12(9-11)18-3)15-13-7-8-16(2)14(13)17/h4-6,9-10,13,15H,7-8H2,1-3H3/t10-,13?/m0/s1
InChIKeyNSKOEWPQSYHFNN-NKUHCKNESA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds4

About 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one

3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one (PubChem CID 81373632) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
PubChem CID81373632
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one
SMILESCOc1cccc([C@H](C)NC2CCN(C)C2=O)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-5-4-6-12(9-11)18-3)15-13-7-8-16(2)14(13)17/h4-6,9-10,13,15H,7-8H2,1-3H3/t10-,13?/m0/s1
InChIKeyNSKOEWPQSYHFNN-NKUHCKNESA-N
XLogP1.58
TPSA41.57 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[bis(3-methoxyphenyl)methylamino]-1-methylpyrrolidin-2-one
CID 75377366
3-[1-(3-hydroxyphenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 113350639
3-[1-(3-methoxyphenyl)ethylamino]oxolan-2-one
CID 43823969
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
3-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-methylpyrrolidin-2-one
CID 103878453
N-[(1R)-1-(3-methoxyphenyl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 81376200
1-methyl-3-[[(1R)-1-thiophen-2-ylethyl]amino]pyrrolidin-2-one
CID 81407977
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
(3R)-3-[[(R)-(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]-1-methylpyrrolidin-2-one
CID 96567992
N-[1-(3-methoxyphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43195069
3-[1-(3,4-dimethoxyphenyl)propylamino]-1-methylpyrrolidin-2-one
CID 103902437

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one (CID 81373632) is 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one is COc1cccc([C@H](C)NC2CCN(C)C2=O)c1.
What is the InChIKey of 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is NSKOEWPQSYHFNN-NKUHCKNESA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-5-4-6-12(9-11)18-3)15-13-7-8-16(2)14(13)17/h4-6,9-10,13,15H,7-8H2,1-3H3/t10-,13?/m0/s1.
What are the key properties of 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one?
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 81373632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).