1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride

C12H17Cl2NO — CID 19661865

IUPAC1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride
SMILESCl.Clc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-4-3-5-12(10-11)15-9-8-14-6-1-2-7-14;/h3-5,10H,1-2,6-9H2;1H
InChIKeyNESDRADGOQGCTF-UHFFFAOYSA-N
MW262.18 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride

1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride (PubChem CID 19661865) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride
PubChem CID19661865
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride
SMILESCl.Clc1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C12H16ClNO.ClH/c13-11-4-3-5-12(10-11)15-9-8-14-6-1-2-7-14;/h3-5,10H,1-2,6-9H2;1H
InChIKeyNESDRADGOQGCTF-UHFFFAOYSA-N
XLogP3.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride?
The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride (CID 19661865) is 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride is Cl.Clc1cccc(OCCN2CCCC2)c1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride?
The InChIKey is NESDRADGOQGCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO.ClH/c13-11-4-3-5-12(10-11)15-9-8-14-6-1-2-7-14;/h3-5,10H,1-2,6-9H2;1H.
What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride?
1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride has a molecular weight of 262.18 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)ethyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 19661865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).