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

C15H23N — CID 83836317

IUPAC2-(3-pentan-3-ylphenyl)pyrrolidine
SMILESCCC(CC)c1cccc(C2CCCN2)c1
InChIInChI=1S/C15H23N/c1-3-12(4-2)13-7-5-8-14(11-13)15-9-6-10-16-15/h5,7-8,11-12,15-16H,3-4,6,9-10H2,1-2H3
InChIKeyTUDNFDIXUGREGS-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.01
Rot. Bonds4

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

2-(3-pentan-3-ylphenyl)pyrrolidine (PubChem CID 83836317) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-(3-pentan-3-ylphenyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-pentan-3-ylphenyl)pyrrolidine
PubChem CID83836317
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-(3-pentan-3-ylphenyl)pyrrolidine
SMILESCCC(CC)c1cccc(C2CCCN2)c1
InChIInChI=1S/C15H23N/c1-3-12(4-2)13-7-5-8-14(11-13)15-9-6-10-16-15/h5,7-8,11-12,15-16H,3-4,6,9-10H2,1-2H3
InChIKeyTUDNFDIXUGREGS-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

1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288
2-(3-methylphenyl)pyrrolidine;hydrochloride
CID 45156256
N,N-dimethyl-3-pyrrolidin-2-ylaniline
CID 3982054
2-[3-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131627
2-(3-bromo-4-pentan-3-ylphenyl)piperidine
CID 117495247
2-(3-iodophenyl)pyrrolidine;hydrochloride
CID 154803675
2-(2-pentan-3-ylphenyl)pyrrolidine
CID 83836318
2-[3-(2,2-difluoropropyl)phenyl]pyrrolidine
CID 84689852
(2R)-2-(3-methylphenyl)azepane
CID 7048257
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
(2S)-2-(3-ethenylphenyl)pyrrolidine
CID 55252972
2-[3-(thian-4-yl)phenyl]pyrrolidine
CID 117372154

Frequently Asked Questions

What is the IUPAC name of 2-(3-pentan-3-ylphenyl)pyrrolidine?
The IUPAC name of 2-(3-pentan-3-ylphenyl)pyrrolidine (CID 83836317) is 2-(3-pentan-3-ylphenyl)pyrrolidine.
What is the SMILES notation for 2-(3-pentan-3-ylphenyl)pyrrolidine?
The canonical SMILES for 2-(3-pentan-3-ylphenyl)pyrrolidine is CCC(CC)c1cccc(C2CCCN2)c1.
What is the InChIKey of 2-(3-pentan-3-ylphenyl)pyrrolidine?
The InChIKey is TUDNFDIXUGREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-3-12(4-2)13-7-5-8-14(11-13)15-9-6-10-16-15/h5,7-8,11-12,15-16H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-(3-pentan-3-ylphenyl)pyrrolidine?
2-(3-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-(3-pentan-3-ylphenyl)pyrrolidine is sourced from PubChem (CID 83836317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).