2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone

C15H22N2O — CID 124509626

IUPAC2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H22N2O/c1-12-5-7-13(8-6-12)10-14-4-3-9-17(14)15(18)11-16-2/h5-8,14,16H,3-4,9-11H2,1-2H3/t14-/m0/s1
InChIKeySYHFECKUERYUKI-AWEZNQCLSA-N
MW246.35 g/mol
LogP1.75
Rot. Bonds4

About 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone

2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 124509626) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID124509626
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1
InChIInChI=1S/C15H22N2O/c1-12-5-7-13(8-6-12)10-14-4-3-9-17(14)15(18)11-16-2/h5-8,14,16H,3-4,9-11H2,1-2H3/t14-/m0/s1
InChIKeySYHFECKUERYUKI-AWEZNQCLSA-N
XLogP1.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 81484038
1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 96539682
1-[2-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 136525446
5-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119184052
N-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-3-(4-methylphenyl)propanamide;hydrochloride
CID 119632681
1-[2-(chloromethyl)pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 55187813
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
ethene;2-(methylamino)-1-(2-methylpyrrolidin-1-yl)ethanone;toluene
CID 142101459
2-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]pentan-1-one
CID 119316545
N-[2-(2-benzylpyrrolidin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 51338008
1-[(3S)-3-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 95341284

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone (CID 124509626) is 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone is CNCC(=O)N1CCC[C@H]1Cc1ccc(C)cc1.
What is the InChIKey of 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is SYHFECKUERYUKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-5-7-13(8-6-12)10-14-4-3-9-17(14)15(18)11-16-2/h5-8,14,16H,3-4,9-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone?
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 246.35 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124509626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).