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

C16H22BrN — CID 117493208

IUPAC2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1C1CCCCC1
InChIInChI=1S/C16H22BrN/c17-15-11-13(16-7-4-10-18-16)8-9-14(15)12-5-2-1-3-6-12/h8-9,11-12,16,18H,1-7,10H2
InChIKeyFYFFGPHOZJGVLS-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.92
Rot. Bonds2

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

2-(3-bromo-4-cyclohexylphenyl)pyrrolidine (PubChem CID 117493208) has the molecular formula C16H22BrN and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
PubChem CID117493208
Molecular FormulaC16H22BrN
Molecular Weight308.26 g/mol
Exact Mass307.09
IUPAC Name2-(3-bromo-4-cyclohexylphenyl)pyrrolidine
SMILESBrc1cc(C2CCCN2)ccc1C1CCCCC1
InChIInChI=1S/C16H22BrN/c17-15-11-13(16-7-4-10-18-16)8-9-14(15)12-5-2-1-3-6-12/h8-9,11-12,16,18H,1-7,10H2
InChIKeyFYFFGPHOZJGVLS-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
2-[3-bromo-4-(oxolan-3-yl)phenyl]piperidine
CID 117495184
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
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-(2,4-dibromophenyl)azepane
CID 107938538
2-(4-bromo-3-iodophenyl)pyrrolidine
CID 130043760
(2S)-2-(2,4-dibromophenyl)pyrrolidine
CID 130706941
2-bromo-5-[(2R)-piperidin-2-yl]phenol
CID 130699877
2-(3-bromo-4-cyclobutyloxyphenyl)pyrrolidine
CID 117477253

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine?
The IUPAC name of 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine (CID 117493208) is 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine is Brc1cc(C2CCCN2)ccc1C1CCCCC1.
What is the InChIKey of 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine?
The InChIKey is FYFFGPHOZJGVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN/c17-15-11-13(16-7-4-10-18-16)8-9-14(15)12-5-2-1-3-6-12/h8-9,11-12,16,18H,1-7,10H2.
What are the key properties of 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine?
2-(3-bromo-4-cyclohexylphenyl)pyrrolidine has a molecular weight of 308.26 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-cyclohexylphenyl)pyrrolidine is sourced from PubChem (CID 117493208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).