3-[(3-bromophenoxy)methyl]pyrrolidine

C11H14BrNO — CID 56830201

IUPAC3-[(3-bromophenoxy)methyl]pyrrolidine
SMILESBrc1cccc(OCC2CCNC2)c1
InChIInChI=1S/C11H14BrNO/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h1-3,6,9,13H,4-5,7-8H2
InChIKeyCAFXKELDOWYLGO-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.44
Rot. Bonds3

About 3-[(3-bromophenoxy)methyl]pyrrolidine

3-[(3-bromophenoxy)methyl]pyrrolidine (PubChem CID 56830201) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-[(3-bromophenoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(3-bromophenoxy)methyl]pyrrolidine
PubChem CID56830201
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-[(3-bromophenoxy)methyl]pyrrolidine
SMILESBrc1cccc(OCC2CCNC2)c1
InChIInChI=1S/C11H14BrNO/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h1-3,6,9,13H,4-5,7-8H2
InChIKeyCAFXKELDOWYLGO-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenoxy)methyl]pyrrolidine
CID 56830207
(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
(3S)-3-[(3-ethylphenoxy)methyl]pyrrolidine;hydrochloride
CID 165429467
1-bromo-3-(cyclopropylmethoxy)benzene;ethane
CID 142361596
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
(3S)-3-[(3-bromo-5-chlorophenoxy)methyl]pyrrolidine;hydrochloride
CID 166175564
1-bromo-3-[3-(cyclopropylmethoxy)phenoxy]benzene
CID 175036733
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
(3S)-3-[(3,4-dimethylphenoxy)methyl]pyrrolidine
CID 86321220
(3R)-3-[(3,4-difluorophenoxy)methyl]pyrrolidine
CID 86317833
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenoxy)methyl]pyrrolidine?
The IUPAC name of 3-[(3-bromophenoxy)methyl]pyrrolidine (CID 56830201) is 3-[(3-bromophenoxy)methyl]pyrrolidine.
What is the SMILES notation for 3-[(3-bromophenoxy)methyl]pyrrolidine?
The canonical SMILES for 3-[(3-bromophenoxy)methyl]pyrrolidine is Brc1cccc(OCC2CCNC2)c1.
What is the InChIKey of 3-[(3-bromophenoxy)methyl]pyrrolidine?
The InChIKey is CAFXKELDOWYLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c12-10-2-1-3-11(6-10)14-8-9-4-5-13-7-9/h1-3,6,9,13H,4-5,7-8H2.
What are the key properties of 3-[(3-bromophenoxy)methyl]pyrrolidine?
3-[(3-bromophenoxy)methyl]pyrrolidine has a molecular weight of 256.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenoxy)methyl]pyrrolidine is sourced from PubChem (CID 56830201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).