[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone

C17H26N2O2 — CID 111336420

IUPAC[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1ccc(C(=O)N2CCCC2)cc1)CC(C)(C)O
InChIInChI=1S/C17H26N2O2/c1-17(2,21)13-18(3)12-14-6-8-15(9-7-14)16(20)19-10-4-5-11-19/h6-9,21H,4-5,10-13H2,1-3H3
InChIKeyKPFHUESZPXXTIM-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.13
Rot. Bonds5

About [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 111336420) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID111336420
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1ccc(C(=O)N2CCCC2)cc1)CC(C)(C)O
InChIInChI=1S/C17H26N2O2/c1-17(2,21)13-18(3)12-14-6-8-15(9-7-14)16(20)19-10-4-5-11-19/h6-9,21H,4-5,10-13H2,1-3H3
InChIKeyKPFHUESZPXXTIM-UHFFFAOYSA-N
XLogP2.13
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 111336420) is [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone is CN(Cc1ccc(C(=O)N2CCCC2)cc1)CC(C)(C)O.
What is the InChIKey of [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KPFHUESZPXXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,21)13-18(3)12-14-6-8-15(9-7-14)16(20)19-10-4-5-11-19/h6-9,21H,4-5,10-13H2,1-3H3.
What are the key properties of [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 111336420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).