(2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine

C17H27NO — CID 134832619

IUPAC(2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine
SMILESCCC(CCc1ccccc1)N1CCC[C@H]1COC
InChIInChI=1S/C17H27NO/c1-3-16(12-11-15-8-5-4-6-9-15)18-13-7-10-17(18)14-19-2/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3/t16?,17-/m0/s1
InChIKeyBALOHVGWIMFDOV-DJNXLDHESA-N
MW261.41 g/mol
LogP3.51
Rot. Bonds7

About (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine

(2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine (PubChem CID 134832619) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine
PubChem CID134832619
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine
SMILESCCC(CCc1ccccc1)N1CCC[C@H]1COC
InChIInChI=1S/C17H27NO/c1-3-16(12-11-15-8-5-4-6-9-15)18-13-7-10-17(18)14-19-2/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3/t16?,17-/m0/s1
InChIKeyBALOHVGWIMFDOV-DJNXLDHESA-N
XLogP3.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine?
The IUPAC name of (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine (CID 134832619) is (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine is CCC(CCc1ccccc1)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine?
The InChIKey is BALOHVGWIMFDOV-DJNXLDHESA-N. The full InChI is InChI=1S/C17H27NO/c1-3-16(12-11-15-8-5-4-6-9-15)18-13-7-10-17(18)14-19-2/h4-6,8-9,16-17H,3,7,10-14H2,1-2H3/t16?,17-/m0/s1.
What are the key properties of (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine?
(2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine has a molecular weight of 261.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethyl)-1-(1-phenylpentan-3-yl)pyrrolidine is sourced from PubChem (CID 134832619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).