3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride

C11H15Cl2NO — CID 45075467

IUPAC3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
SMILESCl.Clc1cccc(COC2CCNC2)c1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-9(6-10)8-14-11-4-5-13-7-11;/h1-3,6,11,13H,4-5,7-8H2;1H
InChIKeyJFYDFLMCKJLJKR-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.64
Rot. Bonds3

About 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride

3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride (PubChem CID 45075467) has the molecular formula C11H15Cl2NO and a molecular weight of 248.15 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
PubChem CID45075467
Molecular FormulaC11H15Cl2NO
Molecular Weight248.15 g/mol
Exact Mass247.05
IUPAC Name3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
SMILESCl.Clc1cccc(COC2CCNC2)c1
InChIInChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-9(6-10)8-14-11-4-5-13-7-11;/h1-3,6,11,13H,4-5,7-8H2;1H
InChIKeyJFYDFLMCKJLJKR-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409416
(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
3-[(2,6-dichlorophenyl)methoxy]pyrrolidine
CID 62328259
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
3-[[(3R)-pyrrolidin-3-yl]oxymethyl]pyridine;dihydrochloride
CID 66987447
3-[(4-iodophenyl)methoxy]pyrrolidine;hydrochloride
CID 53409439
4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
CID 45075442
3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
3-[(3-chlorophenyl)methoxy]cyclobutan-1-one
CID 66367482
4-[[(3S)-pyrrolidin-3-yl]oxymethyl]pyridine
CID 71636909
4-[(4-chlorophenyl)methoxy]piperidine
CID 13194424

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride (CID 45075467) is 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride is Cl.Clc1cccc(COC2CCNC2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride?
The InChIKey is JFYDFLMCKJLJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO.ClH/c12-10-3-1-2-9(6-10)8-14-11-4-5-13-7-11;/h1-3,6,11,13H,4-5,7-8H2;1H.
What are the key properties of 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride?
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride has a molecular weight of 248.15 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride is sourced from PubChem (CID 45075467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).