3-[3-(4-methylphenyl)phenyl]pyrrolidine

C17H19N — CID 82292012

IUPAC3-[3-(4-methylphenyl)phenyl]pyrrolidine
SMILESCc1ccc(-c2cccc(C3CCNC3)c2)cc1
InChIInChI=1S/C17H19N/c1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17-9-10-18-12-17/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyVRGRFGIFESXXAO-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.74
Rot. Bonds2

About 3-[3-(4-methylphenyl)phenyl]pyrrolidine

3-[3-(4-methylphenyl)phenyl]pyrrolidine (PubChem CID 82292012) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[3-(4-methylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(4-methylphenyl)phenyl]pyrrolidine
PubChem CID82292012
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name3-[3-(4-methylphenyl)phenyl]pyrrolidine
SMILESCc1ccc(-c2cccc(C3CCNC3)c2)cc1
InChIInChI=1S/C17H19N/c1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17-9-10-18-12-17/h2-8,11,17-18H,9-10,12H2,1H3
InChIKeyVRGRFGIFESXXAO-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-phenylphenyl)piperidine
CID 54258001
3-[4-(3,5-dimethylphenyl)phenyl]pyrrolidine
CID 82297925
4-[3-(4-ethylphenyl)phenyl]piperidine
CID 129173744
3-[(3S)-pyrrolidin-3-yl]aniline
CID 86324837
3-pyrrolidin-3-ylphenol
CID 12937992
(3S)-3-(3-ethylphenyl)pyrrolidine
CID 130943916
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
3-(3-phenylphenyl)azetidine;hydrochloride
CID 154791407
3-pyrrolidin-3-ylphenol;hydrochloride
CID 139593330
3-(3-iodophenyl)pyrrolidine;hydrochloride
CID 169498448
ethane;3-phenylpyrrolidine
CID 91032726
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylphenyl)phenyl]pyrrolidine?
The IUPAC name of 3-[3-(4-methylphenyl)phenyl]pyrrolidine (CID 82292012) is 3-[3-(4-methylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for 3-[3-(4-methylphenyl)phenyl]pyrrolidine?
The canonical SMILES for 3-[3-(4-methylphenyl)phenyl]pyrrolidine is Cc1ccc(-c2cccc(C3CCNC3)c2)cc1.
What is the InChIKey of 3-[3-(4-methylphenyl)phenyl]pyrrolidine?
The InChIKey is VRGRFGIFESXXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-13-5-7-14(8-6-13)15-3-2-4-16(11-15)17-9-10-18-12-17/h2-8,11,17-18H,9-10,12H2,1H3.
What are the key properties of 3-[3-(4-methylphenyl)phenyl]pyrrolidine?
3-[3-(4-methylphenyl)phenyl]pyrrolidine has a molecular weight of 237.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 82292012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).