2-(2-cyclohexylphenyl)pyrrolidine

C16H23N — CID 77131701

IUPAC2-(2-cyclohexylphenyl)pyrrolidine
SMILESc1ccc(C2CCCN2)c(C2CCCCC2)c1
InChIInChI=1S/C16H23N/c1-2-7-13(8-3-1)14-9-4-5-10-15(14)16-11-6-12-17-16/h4-5,9-10,13,16-17H,1-3,6-8,11-12H2
InChIKeyBUQLACMQYVFYQF-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.16
Rot. Bonds2

About 2-(2-cyclohexylphenyl)pyrrolidine

2-(2-cyclohexylphenyl)pyrrolidine (PubChem CID 77131701) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(2-cyclohexylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-cyclohexylphenyl)pyrrolidine
PubChem CID77131701
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(2-cyclohexylphenyl)pyrrolidine
SMILESc1ccc(C2CCCN2)c(C2CCCCC2)c1
InChIInChI=1S/C16H23N/c1-2-7-13(8-3-1)14-9-4-5-10-15(14)16-11-6-12-17-16/h4-5,9-10,13,16-17H,1-3,6-8,11-12H2
InChIKeyBUQLACMQYVFYQF-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-[2-(oxetan-3-yl)phenyl]pyrrolidine
CID 83832200
9-azatricyclo[6.4.1.02,7]trideca-2,4,6-triene;hydrochloride
CID 3059576
2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
(2S)-2-naphthalen-1-ylazepane
CID 7048283
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-(2-cyclobutylphenyl)-4-methylpiperidine
CID 114605954
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
CID 66518247
2-naphthalen-1-ylpiperidine
CID 4209523

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylphenyl)pyrrolidine?
The IUPAC name of 2-(2-cyclohexylphenyl)pyrrolidine (CID 77131701) is 2-(2-cyclohexylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-cyclohexylphenyl)pyrrolidine?
The canonical SMILES for 2-(2-cyclohexylphenyl)pyrrolidine is c1ccc(C2CCCN2)c(C2CCCCC2)c1.
What is the InChIKey of 2-(2-cyclohexylphenyl)pyrrolidine?
The InChIKey is BUQLACMQYVFYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-7-13(8-3-1)14-9-4-5-10-15(14)16-11-6-12-17-16/h4-5,9-10,13,16-17H,1-3,6-8,11-12H2.
What are the key properties of 2-(2-cyclohexylphenyl)pyrrolidine?
2-(2-cyclohexylphenyl)pyrrolidine has a molecular weight of 229.37 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylphenyl)pyrrolidine is sourced from PubChem (CID 77131701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).