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

C11H15BrClNO — CID 53409416

IUPAC3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
SMILESBrc1cccc(COC2CCNC2)c1.Cl
InChIInChI=1S/C11H14BrNO.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
InChIKeyXOMHNLJQUXVFMB-UHFFFAOYSA-N
MW292.60 g/mol
LogP2.75
Rot. Bonds3

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

3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride (PubChem CID 53409416) has the molecular formula C11H15BrClNO and a molecular weight of 292.60 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
PubChem CID53409416
Molecular FormulaC11H15BrClNO
Molecular Weight292.60 g/mol
Exact Mass291.00
IUPAC Name3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride
SMILESBrc1cccc(COC2CCNC2)c1.Cl
InChIInChI=1S/C11H14BrNO.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
InChIKeyXOMHNLJQUXVFMB-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.60
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-bromophenyl)methoxy]piperidine
CID 53409415
3-[(3-chlorophenyl)methoxy]pyrrolidine;hydrochloride
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(3R)-3-[(3-methylphenyl)methoxy]pyrrolidine
CID 26191874
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
3-[(3-bromo-5-fluorophenyl)methoxy]pyrrolidine
CID 79702337
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
3-[(3-nitrophenyl)methoxy]pyrrolidine
CID 18388249
4-[2-(3-bromophenyl)ethoxy]piperidine
CID 115070549
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]cyclobutan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride?
The IUPAC name of 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride (CID 53409416) is 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride is Brc1cccc(COC2CCNC2)c1.Cl.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride?
The InChIKey is XOMHNLJQUXVFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO.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-bromophenyl)methoxy]pyrrolidine;hydrochloride?
3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride has a molecular weight of 292.60 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]pyrrolidine;hydrochloride is sourced from PubChem (CID 53409416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).