5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one

C15H22N2O — CID 60726637

IUPAC5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCCc1ccc(C(C)NCC2CCC(=O)N2)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-4-6-13(7-5-12)11(2)16-10-14-8-9-15(18)17-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyXABGXHQCBMUQBR-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.18
Rot. Bonds5

About 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one

5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one (PubChem CID 60726637) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
PubChem CID60726637
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one
SMILESCCc1ccc(C(C)NCC2CCC(=O)N2)cc1
InChIInChI=1S/C15H22N2O/c1-3-12-4-6-13(7-5-12)11(2)16-10-14-8-9-15(18)17-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyXABGXHQCBMUQBR-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[1-(3-fluorophenyl)ethylamino]methyl]pyrrolidin-2-one
CID 60726591
N-[(4-ethylcyclohexyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 63452140
5-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]pyrrolidin-2-one
CID 107529754
5-[[1-(5-bromofuran-2-yl)ethylamino]methyl]pyrrolidin-2-one
CID 104653034
5-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]pyrrolidin-2-one
CID 107529769
1-(4-ethylphenyl)-N-(thiolan-2-ylmethyl)ethanamine
CID 80584060
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
N-(cyclohex-3-en-1-ylmethyl)-1-(4-ethylphenyl)ethanamine
CID 43223749
5-[[1-(1,3-thiazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 115890616
5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 115524016
N-(2-cyclopentylethyl)-1-(4-ethylphenyl)ethanamine
CID 63450481
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 113428831

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one (CID 60726637) is 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one is CCc1ccc(C(C)NCC2CCC(=O)N2)cc1.
What is the InChIKey of 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one?
The InChIKey is XABGXHQCBMUQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-12-4-6-13(7-5-12)11(2)16-10-14-8-9-15(18)17-14/h4-7,11,14,16H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one?
5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one has a molecular weight of 246.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-ethylphenyl)ethylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 60726637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).