[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone

C17H26N2O2 — CID 102789263

IUPAC[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C)cc1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C17H26N2O2/c1-4-8-18-15-6-5-12(2)10-14(15)17(21)19-9-7-13(3)16(19)11-20/h5-6,10,13,16,18,20H,4,7-9,11H2,1-3H3
InChIKeyDHJSCZMHNLKYPZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.66
Rot. Bonds5

About [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone

[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone (PubChem CID 102789263) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone
PubChem CID102789263
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone
SMILESCCCNc1ccc(C)cc1C(=O)N1CCC(C)C1CO
InChIInChI=1S/C17H26N2O2/c1-4-8-18-15-6-5-12(2)10-14(15)17(21)19-9-7-13(3)16(19)11-20/h5-6,10,13,16,18,20H,4,7-9,11H2,1-3H3
InChIKeyDHJSCZMHNLKYPZ-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-5-methylphenyl]-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102789262
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(methylamino)phenyl]methanone
CID 102789296
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]methanone
CID 102787030
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 102787415
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]methanone
CID 102786992
(5-amino-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102777011
(5-bromo-2-methylphenyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738277
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
5-methyl-N-(4-methylcyclohexyl)-2-(propylamino)benzamide
CID 63500938
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 102783538
(3,6-dimethylpyridazin-4-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738116
N-cyclohexyl-5-methyl-2-(propylamino)benzamide
CID 62509311

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone?
The IUPAC name of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone (CID 102789263) is [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone.
What is the SMILES notation for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone?
The canonical SMILES for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone is CCCNc1ccc(C)cc1C(=O)N1CCC(C)C1CO.
What is the InChIKey of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone?
The InChIKey is DHJSCZMHNLKYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-8-18-15-6-5-12(2)10-14(15)17(21)19-9-7-13(3)16(19)11-20/h5-6,10,13,16,18,20H,4,7-9,11H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone?
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone has a molecular weight of 290.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[5-methyl-2-(propylamino)phenyl]methanone is sourced from PubChem (CID 102789263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).