2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole

C19H19N — CID 71396512

IUPAC2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
SMILESCc1ccc(CCc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C19H19N/c1-16-12-14-19(15-13-17-8-4-2-5-9-17)20(16)18-10-6-3-7-11-18/h2-12,14H,13,15H2,1H3
InChIKeyJJDGDVQMLOTQEP-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.57
Rot. Bonds4

About 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole

2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole (PubChem CID 71396512) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole.

Molecular Properties

Compound Name2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
PubChem CID71396512
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
SMILESCc1ccc(CCc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C19H19N/c1-16-12-14-19(15-13-17-8-4-2-5-9-17)20(16)18-10-6-3-7-11-18/h2-12,14H,13,15H2,1H3
InChIKeyJJDGDVQMLOTQEP-UHFFFAOYSA-N
XLogP4.57
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

Triprolidine
CID 5282443
Iprindole
CID 21722
Mebhydrolin
CID 22530
Sib 1893
CID 5311432
Mpep
CID 3025961
2,3,6-Trimethylpyridine
CID 15100
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-Methyl-2-phenylindole
CID 77095
Pyridinium, 1-ethyl-2,6-bis(2-(4-(1-pyrrolidinyl)phenyl)ethenyl)-, iodide (1:1)
CID 6433387
N-Methylcarbazole
CID 15142
9-Phenylcarbazole
CID 70851

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole?
The IUPAC name of 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole (CID 71396512) is 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole.
What is the SMILES notation for 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole?
The canonical SMILES for 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole is Cc1ccc(CCc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole?
The InChIKey is JJDGDVQMLOTQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-16-12-14-19(15-13-17-8-4-2-5-9-17)20(16)18-10-6-3-7-11-18/h2-12,14H,13,15H2,1H3.
What are the key properties of 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole?
2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole has a molecular weight of 261.37 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole is sourced from PubChem (CID 71396512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).