2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine

C14H18BrNO — CID 117477253

IUPAC2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1OC1CCC1
InChIInChI=1S/C14H18BrNO/c15-12-9-10(13-5-2-8-16-13)6-7-14(12)17-11-3-1-4-11/h6-7,9,11,13,16H,1-5,8H2
InChIKeyHZMHEQIGKJEQIO-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.80
Rot. Bonds3

About 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine

2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine (PubChem CID 117477253) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
PubChem CID117477253
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1OC1CCC1
InChIInChI=1S/C14H18BrNO/c15-12-9-10(13-5-2-8-16-13)6-7-14(12)17-11-3-1-4-11/h6-7,9,11,13,16H,1-5,8H2
InChIKeyHZMHEQIGKJEQIO-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
CID 117495069
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-[(3-bromo-4-cyclobutyloxyphenyl)methyl]pyrrolidine
CID 117495047
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
CID 117493208
2-(3-bromo-4-cyclopropylsulfanylphenyl)pyrrolidine
CID 117480672
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
CID 117492466

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine (CID 117477253) is 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine is Brc1cc(C2CCCN2)ccc1OC1CCC1.
What is the InChIKey of 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine?
The InChIKey is HZMHEQIGKJEQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c15-12-9-10(13-5-2-8-16-13)6-7-14(12)17-11-3-1-4-11/h6-7,9,11,13,16H,1-5,8H2.
What are the key properties of 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine?
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine has a molecular weight of 296.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine is sourced from PubChem (CID 117477253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).