1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one

C18H20N2O — CID 28680051

IUPAC1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccccc1CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H20N2O/c1-14-6-2-3-7-15(14)13-19-16-8-4-9-17(12-16)20-11-5-10-18(20)21/h2-4,6-9,12,19H,5,10-11,13H2,1H3
InChIKeyFOTSTCOZLQCLCW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.73
Rot. Bonds4

About 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one

1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 28680051) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID28680051
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1ccccc1CNc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H20N2O/c1-14-6-2-3-7-15(14)13-19-16-8-4-9-17(12-16)20-11-5-10-18(20)21/h2-4,6-9,12,19H,5,10-11,13H2,1H3
InChIKeyFOTSTCOZLQCLCW-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(3-methylfuran-2-yl)methylamino]phenyl]pyrrolidin-2-one
CID 115652503
1-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]pyrrolidin-2-one
CID 104749314
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
1-[3-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 28781574
1-[3-[(3-bromophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 28680049
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
1-[3-[[2-(hydroxymethyl)-2-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 81411006
1-[3-(2,3-dihydroxypropylamino)phenyl]pyrrolidin-2-one
CID 168597538
2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 51213638
5-[[3-(2-oxopyrrolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115652504
diethyl 2-[3-(2-oxopyrrolidin-1-yl)anilino]propanedioate
CID 71396384
1-[(2-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100763457

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one (CID 28680051) is 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one is Cc1ccccc1CNc1cccc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is FOTSTCOZLQCLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-6-2-3-7-15(14)13-19-16-8-4-9-17(12-16)20-11-5-10-18(20)21/h2-4,6-9,12,19H,5,10-11,13H2,1H3.
What are the key properties of 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one?
1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 280.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylphenyl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28680051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).