[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone

C15H22N2O — CID 62510499

IUPAC[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCCC1C
InChIInChI=1S/C15H22N2O/c1-4-16-14-8-7-11(2)10-13(14)15(18)17-9-5-6-12(17)3/h7-8,10,12,16H,4-6,9H2,1-3H3
InChIKeyIJEPOUBKQUZDCL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.05
Rot. Bonds3

About [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone

[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 62510499) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID62510499
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCCC1C
InChIInChI=1S/C15H22N2O/c1-4-16-14-8-7-11(2)10-13(14)15(18)17-9-5-6-12(17)3/h7-8,10,12,16H,4-6,9H2,1-3H3
InChIKeyIJEPOUBKQUZDCL-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789262
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 81234090
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 62510757
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
[2-(ethylamino)-5-methylphenyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228727
[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538392
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone
CID 102789263
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 114921368
(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 99833431
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
[2-(ethylamino)-5-methylphenyl]-(2-ethylmorpholin-4-yl)methanone
CID 62510031

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone (CID 62510499) is [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone is CCNc1ccc(C)cc1C(=O)N1CCCC1C.
What is the InChIKey of [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is IJEPOUBKQUZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-16-14-8-7-11(2)10-13(14)15(18)17-9-5-6-12(17)3/h7-8,10,12,16H,4-6,9H2,1-3H3.
What are the key properties of [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone?
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 246.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62510499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).