5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one

C14H20N2O3 — CID 60727440

IUPAC5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CNCC2CCC(=O)N2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-5-3-10(7-13(12)19-2)8-15-9-11-4-6-14(17)16-11/h3,5,7,11,15H,4,6,8-9H2,1-2H3,(H,16,17)
InChIKeyZRBBJAUGWFQQOU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.07
Rot. Bonds6

About 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one

5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 60727440) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
PubChem CID60727440
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one
SMILESCOc1ccc(CNCC2CCC(=O)N2)cc1OC
InChIInChI=1S/C14H20N2O3/c1-18-12-5-3-10(7-13(12)19-2)8-15-9-11-4-6-14(17)16-11/h3,5,7,11,15H,4,6,8-9H2,1-2H3,(H,16,17)
InChIKeyZRBBJAUGWFQQOU-UHFFFAOYSA-N
XLogP1.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]pyrrolidin-2-one
CID 107529441
5-[[(3-fluoro-4-methylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 60727360
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
5-[[[3-bromo-4-(trifluoromethoxy)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 107342374
5-[(1,3-benzodioxol-5-ylmethylamino)methyl]pyrrolidin-2-one
CID 60727716
5-[[(2-fluoro-6-methoxyphenyl)methylamino]methyl]pyrrolidin-2-one
CID 171489768
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 60855833
N-[(3,4-dimethoxyphenyl)methyl]-1-(oxan-2-yl)methanamine
CID 43403643
2-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 115592709
(5S)-5-[[[4-[2-chloro-3-[2-chloro-3-[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxyphenyl]methylamino]methyl]pyrrolidin-2-one
CID 142459820
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 172661146
5-[[2-(4-methoxyphenoxy)ethylamino]methyl]pyrrolidin-2-one
CID 60727737

Frequently Asked Questions

What is the IUPAC name of 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one (CID 60727440) is 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one is COc1ccc(CNCC2CCC(=O)N2)cc1OC.
What is the InChIKey of 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is ZRBBJAUGWFQQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-5-3-10(7-13(12)19-2)8-15-9-11-4-6-14(17)16-11/h3,5,7,11,15H,4,6,8-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one?
5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3,4-dimethoxyphenyl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 60727440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).