3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol

C19H29NO3 — CID 167850506

IUPAC3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESCOC(CN1CCCC1C1COCCC1(C)O)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-19(21)10-12-23-14-16(19)17-9-6-11-20(17)13-18(22-2)15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,6,9-14H2,1-2H3
InChIKeyACOXLTQREFNHEM-UHFFFAOYSA-N
MW319.44 g/mol
LogP2.63
Rot. Bonds5

About 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol

3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol (PubChem CID 167850506) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol.

Molecular Properties

Compound Name3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
PubChem CID167850506
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESCOC(CN1CCCC1C1COCCC1(C)O)c1ccccc1
InChIInChI=1S/C19H29NO3/c1-19(21)10-12-23-14-16(19)17-9-6-11-20(17)13-18(22-2)15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,6,9-14H2,1-2H3
InChIKeyACOXLTQREFNHEM-UHFFFAOYSA-N
XLogP2.63
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The IUPAC name of 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol (CID 167850506) is 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol.
What is the SMILES notation for 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The canonical SMILES for 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol is COC(CN1CCCC1C1COCCC1(C)O)c1ccccc1.
What is the InChIKey of 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The InChIKey is ACOXLTQREFNHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-19(21)10-12-23-14-16(19)17-9-6-11-20(17)13-18(22-2)15-7-4-3-5-8-15/h3-5,7-8,16-18,21H,6,9-14H2,1-2H3.
What are the key properties of 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol has a molecular weight of 319.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methoxy-2-phenylethyl)pyrrolidin-2-yl]-4-methyloxan-4-ol is sourced from PubChem (CID 167850506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).