3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride

C17H20ClNO2 — CID 18357130

IUPAC3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
SMILESCl.c1ccc(COc2ccc(OC3CCNC3)cc2)cc1
InChIInChI=1S/C17H19NO2.ClH/c1-2-4-14(5-3-1)13-19-15-6-8-16(9-7-15)20-17-10-11-18-12-17;/h1-9,17-18H,10-13H2;1H
InChIKeyBMXQQIJXRUUJAD-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.43
Rot. Bonds5

About 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride

3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride (PubChem CID 18357130) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
PubChem CID18357130
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride
SMILESCl.c1ccc(COc2ccc(OC3CCNC3)cc2)cc1
InChIInChI=1S/C17H19NO2.ClH/c1-2-4-14(5-3-1)13-19-15-6-8-16(9-7-15)20-17-10-11-18-12-17;/h1-9,17-18H,10-13H2;1H
InChIKeyBMXQQIJXRUUJAD-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride?
The IUPAC name of 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride (CID 18357130) is 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride is Cl.c1ccc(COc2ccc(OC3CCNC3)cc2)cc1.
What is the InChIKey of 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride?
The InChIKey is BMXQQIJXRUUJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.ClH/c1-2-4-14(5-3-1)13-19-15-6-8-16(9-7-15)20-17-10-11-18-12-17;/h1-9,17-18H,10-13H2;1H.
What are the key properties of 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride?
3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylmethoxyphenoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 18357130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).