3-(2-bromo-5-methoxyphenyl)pyrrolidine

C11H14BrNO — CID 83730911

IUPAC3-(2-bromo-5-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(Br)c(C2CCNC2)c1
InChIInChI=1S/C11H14BrNO/c1-14-9-2-3-11(12)10(6-9)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyNGXOGZJOKSHNEC-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.53
Rot. Bonds2

About 3-(2-bromo-5-methoxyphenyl)pyrrolidine

3-(2-bromo-5-methoxyphenyl)pyrrolidine (PubChem CID 83730911) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)pyrrolidine
PubChem CID83730911
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name3-(2-bromo-5-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(Br)c(C2CCNC2)c1
InChIInChI=1S/C11H14BrNO/c1-14-9-2-3-11(12)10(6-9)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3
InChIKeyNGXOGZJOKSHNEC-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

3-(2,4-dimethoxyphenyl)pyrrolidine;hydrochloride
CID 169498250
(2S)-2-(2-bromo-5-methoxyphenyl)piperazine;hydrochloride
CID 171193714
3-(2-ethoxy-4-methoxyphenyl)pyrrolidine
CID 117316343
3-(2-bromo-5-methoxyphenyl)oxetane
CID 172992069
3-(4-bromo-2,5-dimethoxyphenyl)pyrrolidine
CID 82134857
2-bromo-4-methoxy-6-piperidin-3-ylphenol
CID 117460908
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
3-(2-bromo-3-methoxyphenyl)pyrrolidine
CID 83730898
3-(2,5-dimethoxyphenyl)piperidin-4-amine
CID 82621034
3-bromo-6-pyrrolidin-3-ylbenzene-1,2-diol
CID 117398339

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)pyrrolidine (CID 83730911) is 3-(2-bromo-5-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)pyrrolidine is COc1ccc(Br)c(C2CCNC2)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)pyrrolidine?
The InChIKey is NGXOGZJOKSHNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-14-9-2-3-11(12)10(6-9)8-4-5-13-7-8/h2-3,6,8,13H,4-5,7H2,1H3.
What are the key properties of 3-(2-bromo-5-methoxyphenyl)pyrrolidine?
3-(2-bromo-5-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-5-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 83730911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).