2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone

C15H22N2O — CID 81375206

IUPAC2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccccc1[C@H](C)NCC(=O)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-12-7-3-4-8-14(12)13(2)16-11-15(18)17-9-5-6-10-17/h3-4,7-8,13,16H,5-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyRGSDRRUXQMFZGM-ZDUSSCGKSA-N
MW246.35 g/mol
LogP2.27
Rot. Bonds4

About 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone

2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone (PubChem CID 81375206) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
PubChem CID81375206
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
SMILESCc1ccccc1[C@H](C)NCC(=O)N1CCCC1
InChIInChI=1S/C15H22N2O/c1-12-7-3-4-8-14(12)13(2)16-11-15(18)17-9-5-6-10-17/h3-4,7-8,13,16H,5-6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyRGSDRRUXQMFZGM-ZDUSSCGKSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R)-1-(2-methylphenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81374136
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
2-[1-(2-nitrophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115663609
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
3-(2-methylphenyl)-1-piperidin-1-ylbutan-1-one
CID 71930972
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81376901
2-(2-methyl-6-propan-2-ylanilino)-1-pyrrolidin-1-ylethanone
CID 108993428
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone (CID 81375206) is 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone is Cc1ccccc1[C@H](C)NCC(=O)N1CCCC1.
What is the InChIKey of 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is RGSDRRUXQMFZGM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12-7-3-4-8-14(12)13(2)16-11-15(18)17-9-5-6-10-17/h3-4,7-8,13,16H,5-6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone?
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 246.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 81375206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).