3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol

C17H27NO2 — CID 64581191

IUPAC3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCOCC1CCN(CC(C)(C)C(O)c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-17(2,16(19)15-7-5-4-6-8-15)13-18-10-9-14(11-18)12-20-3/h4-8,14,16,19H,9-13H2,1-3H3
InChIKeyXZZLTQHQNZXWIG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.71
Rot. Bonds6

About 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol

3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol (PubChem CID 64581191) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
PubChem CID64581191
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCOCC1CCN(CC(C)(C)C(O)c2ccccc2)C1
InChIInChI=1S/C17H27NO2/c1-17(2,16(19)15-7-5-4-6-8-15)13-18-10-9-14(11-18)12-20-3/h4-8,14,16,19H,9-13H2,1-3H3
InChIKeyXZZLTQHQNZXWIG-UHFFFAOYSA-N
XLogP2.71
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
The IUPAC name of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol (CID 64581191) is 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol is COCC1CCN(CC(C)(C)C(O)c2ccccc2)C1.
What is the InChIKey of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
The InChIKey is XZZLTQHQNZXWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(2,16(19)15-7-5-4-6-8-15)13-18-10-9-14(11-18)12-20-3/h4-8,14,16,19H,9-13H2,1-3H3.
What are the key properties of 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol?
3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol is sourced from PubChem (CID 64581191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).