2-[(3-bromophenyl)methoxymethyl]pyrrolidine

C12H16BrNO — CID 62333428

IUPAC2-[(3-bromophenyl)methoxymethyl]pyrrolidine
SMILESBrc1cccc(COCC2CCCN2)c1
InChIInChI=1S/C12H16BrNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2
InChIKeyIDVCHZPNDOECIH-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.72
Rot. Bonds4

About 2-[(3-bromophenyl)methoxymethyl]pyrrolidine

2-[(3-bromophenyl)methoxymethyl]pyrrolidine (PubChem CID 62333428) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methoxymethyl]pyrrolidine
PubChem CID62333428
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-[(3-bromophenyl)methoxymethyl]pyrrolidine
SMILESBrc1cccc(COCC2CCCN2)c1
InChIInChI=1S/C12H16BrNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2
InChIKeyIDVCHZPNDOECIH-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
(2S)-2-[(3,4-dichlorophenyl)methoxymethyl]pyrrolidine
CID 35754010
(3S)-3-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 86321723
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
4-(pyrrolidin-2-ylmethoxymethyl)pyridine;hydrochloride
CID 71637002
2-[(3-chlorophenyl)methoxymethyl]azetidine
CID 115070958
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717
3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 56830508
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
2-[(5-bromothiophen-2-yl)methoxymethyl]pyrrolidine
CID 62335092
(2R)-2-[[3-(methoxymethyl)phenoxy]methyl]pyrrolidine
CID 102820162

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methoxymethyl]pyrrolidine?
The IUPAC name of 2-[(3-bromophenyl)methoxymethyl]pyrrolidine (CID 62333428) is 2-[(3-bromophenyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(3-bromophenyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 2-[(3-bromophenyl)methoxymethyl]pyrrolidine is Brc1cccc(COCC2CCCN2)c1.
What is the InChIKey of 2-[(3-bromophenyl)methoxymethyl]pyrrolidine?
The InChIKey is IDVCHZPNDOECIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-11-4-1-3-10(7-11)8-15-9-12-5-2-6-14-12/h1,3-4,7,12,14H,2,5-6,8-9H2.
What are the key properties of 2-[(3-bromophenyl)methoxymethyl]pyrrolidine?
2-[(3-bromophenyl)methoxymethyl]pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 62333428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).