(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine

C20H25N — CID 143821603

IUPAC(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
SMILESCC(C)(C)c1ccc(-c2ccccc2[C@H]2CCNC2)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)17-10-8-15(9-11-17)18-6-4-5-7-19(18)16-12-13-21-14-16/h4-11,16,21H,12-14H2,1-3H3/t16-/m0/s1
InChIKeyFONUQMHIKVOYCW-INIZCTEOSA-N
MW279.43 g/mol
LogP4.73
Rot. Bonds2

About (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine

(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine (PubChem CID 143821603) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
PubChem CID143821603
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine
SMILESCC(C)(C)c1ccc(-c2ccccc2[C@H]2CCNC2)cc1
InChIInChI=1S/C20H25N/c1-20(2,3)17-10-8-15(9-11-17)18-6-4-5-7-19(18)16-12-13-21-14-16/h4-11,16,21H,12-14H2,1-3H3/t16-/m0/s1
InChIKeyFONUQMHIKVOYCW-INIZCTEOSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(3,4-dimethylphenyl)phenyl]pyrrolidine
CID 46205703
4-[2-(4-methoxyphenyl)phenyl]piperidine
CID 86226215
3-[2-(2-fluoro-2-methylpropyl)phenyl]pyrrolidine
CID 84687079
(3S)-3-(2-tert-butylphenyl)piperidine
CID 118547022
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
1-(2-methylpropyl)-4-(2-pyrrolidin-3-ylphenyl)pyrazole
CID 143821636
3-[2-(fluoromethyl)phenyl]pyrrolidine
CID 84657076
2-pyrrolidin-3-ylaniline;dihydrochloride
CID 139593328
3-(4-tert-butylphenyl)piperidine
CID 24904200
3-cyclopenta[b]thiopyran-5-ylpyrrolidine
CID 57078290
3-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine
CID 83808419
ethane;3-phenylpyrrolidine
CID 91032726

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine?
The IUPAC name of (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine (CID 143821603) is (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine.
What is the SMILES notation for (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine?
The canonical SMILES for (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine is CC(C)(C)c1ccc(-c2ccccc2[C@H]2CCNC2)cc1.
What is the InChIKey of (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine?
The InChIKey is FONUQMHIKVOYCW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N/c1-20(2,3)17-10-8-15(9-11-17)18-6-4-5-7-19(18)16-12-13-21-14-16/h4-11,16,21H,12-14H2,1-3H3/t16-/m0/s1.
What are the key properties of (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine?
(3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine has a molecular weight of 279.43 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-tert-butylphenyl)phenyl]pyrrolidine is sourced from PubChem (CID 143821603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).