3-(2-bromo-3-methoxyphenyl)pyrrolidine

C11H14BrNO — CID 83730898

IUPAC3-(2-bromo-3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCNC2)c1Br
InChIInChI=1S/C11H14BrNO/c1-14-10-4-2-3-9(11(10)12)8-5-6-13-7-8/h2-4,8,13H,5-7H2,1H3
InChIKeyWFGAPIYPIKUWMW-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.53
Rot. Bonds2

About 3-(2-bromo-3-methoxyphenyl)pyrrolidine

3-(2-bromo-3-methoxyphenyl)pyrrolidine (PubChem CID 83730898) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(2-bromo-3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-bromo-3-methoxyphenyl)pyrrolidine
PubChem CID83730898
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-(2-bromo-3-methoxyphenyl)pyrrolidine
SMILESCOc1cccc(C2CCNC2)c1Br
InChIInChI=1S/C11H14BrNO/c1-14-10-4-2-3-9(11(10)12)8-5-6-13-7-8/h2-4,8,13H,5-7H2,1H3
InChIKeyWFGAPIYPIKUWMW-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-cyclopropyl-3-methoxybenzene
CID 130114065
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
4-(2-methoxyphenyl)piperidine
CID 544738
3-[2-bromo-3-(trifluoromethyl)phenyl]pyrrolidine
CID 117103970
3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
3-(2-fluoro-6-methoxyphenyl)pyrrolidine;hydrochloride
CID 169498266
3-(2-bromo-6-methoxy-3-methylphenyl)pyrrolidine
CID 84808969
3-(2-methoxy-4-methylsulfanylphenyl)pyrrolidine
CID 117320772

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-3-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(2-bromo-3-methoxyphenyl)pyrrolidine (CID 83730898) is 3-(2-bromo-3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-bromo-3-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(2-bromo-3-methoxyphenyl)pyrrolidine is COc1cccc(C2CCNC2)c1Br.
What is the InChIKey of 3-(2-bromo-3-methoxyphenyl)pyrrolidine?
The InChIKey is WFGAPIYPIKUWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-10-4-2-3-9(11(10)12)8-5-6-13-7-8/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 3-(2-bromo-3-methoxyphenyl)pyrrolidine?
3-(2-bromo-3-methoxyphenyl)pyrrolidine has a molecular weight of 256.14 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 83730898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).