2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine

C21H25N — CID 21273052

IUPAC2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine
SMILESC=C(c1ccc(C)cc1)c1ccc(N2C(C)CCC2C)cc1
InChIInChI=1S/C21H25N/c1-15-5-9-19(10-6-15)18(4)20-11-13-21(14-12-20)22-16(2)7-8-17(22)3/h5-6,9-14,16-17H,4,7-8H2,1-3H3
InChIKeyWZUCANSBBGOGTN-UHFFFAOYSA-N
MW291.44 g/mol
LogP5.43
Rot. Bonds3

About 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine

2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine (PubChem CID 21273052) has the molecular formula C21H25N and a molecular weight of 291.44 g/mol. Its IUPAC name is 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine
PubChem CID21273052
Molecular FormulaC21H25N
Molecular Weight291.44 g/mol
Exact Mass291.20
IUPAC Name2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine
SMILESC=C(c1ccc(C)cc1)c1ccc(N2C(C)CCC2C)cc1
InChIInChI=1S/C21H25N/c1-15-5-9-19(10-6-15)18(4)20-11-13-21(14-12-20)22-16(2)7-8-17(22)3/h5-6,9-14,16-17H,4,7-8H2,1-3H3
InChIKeyWZUCANSBBGOGTN-UHFFFAOYSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine?
The IUPAC name of 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine (CID 21273052) is 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine.
What is the SMILES notation for 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine?
The canonical SMILES for 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine is C=C(c1ccc(C)cc1)c1ccc(N2C(C)CCC2C)cc1.
What is the InChIKey of 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine?
The InChIKey is WZUCANSBBGOGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N/c1-15-5-9-19(10-6-15)18(4)20-11-13-21(14-12-20)22-16(2)7-8-17(22)3/h5-6,9-14,16-17H,4,7-8H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine?
2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine has a molecular weight of 291.44 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[4-[1-(4-methylphenyl)ethenyl]phenyl]pyrrolidine is sourced from PubChem (CID 21273052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).