[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone

C15H22N2O2 — CID 103538392

IUPAC[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCC(OC)C1
InChIInChI=1S/C15H22N2O2/c1-4-16-14-6-5-11(2)9-13(14)15(18)17-8-7-12(10-17)19-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyIISSNFLHDVPUDD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.29
Rot. Bonds4

About [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone

[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 103538392) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID103538392
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C)cc1C(=O)N1CCC(OC)C1
InChIInChI=1S/C15H22N2O2/c1-4-16-14-6-5-11(2)9-13(14)15(18)17-8-7-12(10-17)19-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3
InChIKeyIISSNFLHDVPUDD-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
[4-(ethylamino)-6-methyl-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538368
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]-(2-ethylmorpholin-4-yl)methanone
CID 62510031
[2-(ethylamino)-5-methylphenyl]-(4-ethylpiperazin-1-yl)methanone
CID 62510513
(3,4-dimethoxypyrrolidin-1-yl)-[2-(ethylamino)-4-methylphenyl]methanone
CID 103538537
[6-(ethylamino)pyridazin-3-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538464
[2-(ethylamino)-4-methylphenyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964719
[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537014
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789262

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone (CID 103538392) is [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone is CCNc1ccc(C)cc1C(=O)N1CCC(OC)C1.
What is the InChIKey of [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is IISSNFLHDVPUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-16-14-6-5-11(2)9-13(14)15(18)17-8-7-12(10-17)19-3/h5-6,9,12,16H,4,7-8,10H2,1-3H3.
What are the key properties of [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone?
[2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 262.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-5-methylphenyl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 103538392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).