2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine

C12H16BrNO — CID 117271922

IUPAC2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1(c2cccc(Br)c2)CCCN1
InChIInChI=1S/C12H16BrNO/c1-15-9-12(6-3-7-14-12)10-4-2-5-11(13)8-10/h2,4-5,8,14H,3,6-7,9H2,1H3
InChIKeyIVGMETCHOAQQGD-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.67
Rot. Bonds3

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

2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 117271922) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
PubChem CID117271922
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine
SMILESCOCC1(c2cccc(Br)c2)CCCN1
InChIInChI=1S/C12H16BrNO/c1-15-9-12(6-3-7-14-12)10-4-2-5-11(13)8-10/h2,4-5,8,14H,3,6-7,9H2,1H3
InChIKeyIVGMETCHOAQQGD-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methoxymethyl)-2-(3-methylphenyl)piperidine
CID 117272068
2-(3-bromophenyl)-2-propylpiperidine
CID 115058689
[2-(3-bromophenyl)azetidin-2-yl]methanamine
CID 115059263
2-(4-chlorophenyl)-2-(methoxymethyl)piperidine
CID 117272084
2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271928
1-bromo-3-[1-(methoxymethoxymethyl)cyclopropyl]benzene
CID 169228109
1-bromo-3-(1-methoxycyclopentyl)benzene
CID 115047484
2-(3-bromophenyl)-2-propan-2-ylazepane
CID 115059411
2-(2,2-dimethylpropyl)-2-(3-methylphenyl)pyrrolidine
CID 115058613
1-bromo-3-[1-(1-methoxyethyl)cyclopropyl]benzene
CID 115047487
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
2-(3-chlorophenyl)-2-ethylpiperidine
CID 115058675

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine (CID 117271922) is 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine is COCC1(c2cccc(Br)c2)CCCN1.
What is the InChIKey of 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is IVGMETCHOAQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-15-9-12(6-3-7-14-12)10-4-2-5-11(13)8-10/h2,4-5,8,14H,3,6-7,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine?
2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 117271922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).