(3S)-3-(2-benzylphenoxy)pyrrolidine

C17H19NO — CID 26192029

IUPAC(3S)-3-(2-benzylphenoxy)pyrrolidine
SMILESc1ccc(Cc2ccccc2O[C@H]2CCNC2)cc1
InChIInChI=1S/C17H19NO/c1-2-6-14(7-3-1)12-15-8-4-5-9-17(15)19-16-10-11-18-13-16/h1-9,16,18H,10-13H2/t16-/m0/s1
InChIKeyVHOYBFRUGXGYHH-INIZCTEOSA-N
MW253.35 g/mol
LogP3.02
Rot. Bonds4

About (3S)-3-(2-benzylphenoxy)pyrrolidine

(3S)-3-(2-benzylphenoxy)pyrrolidine (PubChem CID 26192029) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (3S)-3-(2-benzylphenoxy)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2-benzylphenoxy)pyrrolidine
PubChem CID26192029
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(3S)-3-(2-benzylphenoxy)pyrrolidine
SMILESc1ccc(Cc2ccccc2O[C@H]2CCNC2)cc1
InChIInChI=1S/C17H19NO/c1-2-6-14(7-3-1)12-15-8-4-5-9-17(15)19-16-10-11-18-13-16/h1-9,16,18H,10-13H2/t16-/m0/s1
InChIKeyVHOYBFRUGXGYHH-INIZCTEOSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-benzylphenoxy)pyrrolidine?
The IUPAC name of (3S)-3-(2-benzylphenoxy)pyrrolidine (CID 26192029) is (3S)-3-(2-benzylphenoxy)pyrrolidine.
What is the SMILES notation for (3S)-3-(2-benzylphenoxy)pyrrolidine?
The canonical SMILES for (3S)-3-(2-benzylphenoxy)pyrrolidine is c1ccc(Cc2ccccc2O[C@H]2CCNC2)cc1.
What is the InChIKey of (3S)-3-(2-benzylphenoxy)pyrrolidine?
The InChIKey is VHOYBFRUGXGYHH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19NO/c1-2-6-14(7-3-1)12-15-8-4-5-9-17(15)19-16-10-11-18-13-16/h1-9,16,18H,10-13H2/t16-/m0/s1.
What are the key properties of (3S)-3-(2-benzylphenoxy)pyrrolidine?
(3S)-3-(2-benzylphenoxy)pyrrolidine has a molecular weight of 253.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-benzylphenoxy)pyrrolidine is sourced from PubChem (CID 26192029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).