1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one

C16H24N2O — CID 60961488

IUPAC1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1ccc(C)c(CNC(C)CN2CCCC2=O)c1
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(2)15(9-12)10-17-14(3)11-18-8-4-5-16(18)19/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3
InChIKeyGJVPEGIQALGQSM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.40
Rot. Bonds5

About 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one

1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one (PubChem CID 60961488) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
PubChem CID60961488
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one
SMILESCc1ccc(C)c(CNC(C)CN2CCCC2=O)c1
InChIInChI=1S/C16H24N2O/c1-12-6-7-13(2)15(9-12)10-17-14(3)11-18-8-4-5-16(18)19/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3
InChIKeyGJVPEGIQALGQSM-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5-fluoro-2-methylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 103943702
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127
1-[2-[(2-bromo-4-fluorophenyl)methylamino]propyl]pyrrolidin-2-one
CID 103792650
(2S)-N-[(2,5-dimethylphenyl)methyl]butan-2-amine
CID 93116797
1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
1-[2-[[2-(difluoromethoxy)phenyl]methylamino]propyl]pyrrolidin-2-one
CID 60936413
1-[2-amino-2-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-one
CID 16790255
N-[(2,5-dimethylphenyl)methyl]propan-2-amine
CID 43090140
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one (CID 60961488) is 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one is Cc1ccc(C)c(CNC(C)CN2CCCC2=O)c1.
What is the InChIKey of 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
The InChIKey is GJVPEGIQALGQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-6-7-13(2)15(9-12)10-17-14(3)11-18-8-4-5-16(18)19/h6-7,9,14,17H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one?
1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one has a molecular weight of 260.38 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-dimethylphenyl)methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 60961488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).