2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine

C15H20BrNO — CID 117495069

IUPAC2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1OCC1CCC1
InChIInChI=1S/C15H20BrNO/c16-13-9-12(14-5-2-8-17-14)6-7-15(13)18-10-11-3-1-4-11/h6-7,9,11,14,17H,1-5,8,10H2
InChIKeyUZIBXUDPKIODDJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.05
Rot. Bonds4

About 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine

2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine (PubChem CID 117495069) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
PubChem CID117495069
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1OCC1CCC1
InChIInChI=1S/C15H20BrNO/c16-13-9-12(14-5-2-8-17-14)6-7-15(13)18-10-11-3-1-4-11/h6-7,9,11,14,17H,1-5,8,10H2
InChIKeyUZIBXUDPKIODDJ-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563
(2S)-2-(3-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196289
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66519672
[3-bromo-4-(cyclobutylmethoxy)phenyl]methanamine
CID 65457318
2-bromo-4-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171195910
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
3-[(2,4-dibromophenoxy)methyl]piperidine;hydrochloride
CID 56831044
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
O-[[3-bromo-4-(cyclobutylmethoxy)phenyl]methyl]hydroxylamine
CID 117461132
2-bromo-6-ethoxy-4-pyrrolidin-2-ylphenol
CID 130148506

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine?
The IUPAC name of 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine (CID 117495069) is 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine.
What is the SMILES notation for 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine?
The canonical SMILES for 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine is Brc1cc(C2CCCN2)ccc1OCC1CCC1.
What is the InChIKey of 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine?
The InChIKey is UZIBXUDPKIODDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c16-13-9-12(14-5-2-8-17-14)6-7-15(13)18-10-11-3-1-4-11/h6-7,9,11,14,17H,1-5,8,10H2.
What are the key properties of 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine?
2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine has a molecular weight of 310.23 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-(cyclobutylmethoxy)phenyl]pyrrolidine is sourced from PubChem (CID 117495069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).