2-(2-pentan-3-ylphenyl)pyrrolidine

C15H23N — CID 83836318

IUPAC2-(2-pentan-3-ylphenyl)pyrrolidine
SMILESCCC(CC)c1ccccc1C1CCCN1
InChIInChI=1S/C15H23N/c1-3-12(4-2)13-8-5-6-9-14(13)15-10-7-11-16-15/h5-6,8-9,12,15-16H,3-4,7,10-11H2,1-2H3
InChIKeyFWBIWONXUVXFEF-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.01
Rot. Bonds4

About 2-(2-pentan-3-ylphenyl)pyrrolidine

2-(2-pentan-3-ylphenyl)pyrrolidine (PubChem CID 83836318) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(2-pentan-3-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(2-pentan-3-ylphenyl)pyrrolidine
PubChem CID83836318
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(2-pentan-3-ylphenyl)pyrrolidine
SMILESCCC(CC)c1ccccc1C1CCCN1
InChIInChI=1S/C15H23N/c1-3-12(4-2)13-8-5-6-9-14(13)15-10-7-11-16-15/h5-6,8-9,12,15-16H,3-4,7,10-11H2,1-2H3
InChIKeyFWBIWONXUVXFEF-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-pyrrolidin-2-yl]benzenethiol
CID 66518323
(2S)-3-methyl-2-(2-piperidin-2-ylphenyl)butan-1-amine
CID 141140391
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2-propan-2-yl-6-[(2S)-pyrrolidin-2-yl]phenol
CID 66518911
2-(2-ethylphenyl)azepane;hydrochloride
CID 146193845
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
2-(3-pentan-3-ylphenyl)pyrrolidine
CID 83836317
2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 17389892
(2S)-2-(2-ethoxyphenyl)piperidine;hydrochloride
CID 171194884
(2R)-2-(2-methoxyphenyl)pyrrolidine
CID 7047810
[2-[(2S)-pyrrolidin-2-yl]phenyl]methanol
CID 66518247
2-[2-(oxetan-3-yl)phenyl]pyrrolidine
CID 83832200

Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-3-ylphenyl)pyrrolidine?
The IUPAC name of 2-(2-pentan-3-ylphenyl)pyrrolidine (CID 83836318) is 2-(2-pentan-3-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(2-pentan-3-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(2-pentan-3-ylphenyl)pyrrolidine is CCC(CC)c1ccccc1C1CCCN1.
What is the InChIKey of 2-(2-pentan-3-ylphenyl)pyrrolidine?
The InChIKey is FWBIWONXUVXFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-12(4-2)13-8-5-6-9-14(13)15-10-7-11-16-15/h5-6,8-9,12,15-16H,3-4,7,10-11H2,1-2H3.
What are the key properties of 2-(2-pentan-3-ylphenyl)pyrrolidine?
2-(2-pentan-3-ylphenyl)pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-3-ylphenyl)pyrrolidine is sourced from PubChem (CID 83836318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).