2-methyl-1,5-bis(2-phenylethyl)pyrrole

C21H23N — CID 102088618

IUPAC2-methyl-1,5-bis(2-phenylethyl)pyrrole
SMILESCc1ccc(CCc2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C21H23N/c1-18-12-14-21(15-13-19-8-4-2-5-9-19)22(18)17-16-20-10-6-3-7-11-20/h2-12,14H,13,15-17H2,1H3
InChIKeyJLNOVOUFDJDHBQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.82
Rot. Bonds6

About 2-methyl-1,5-bis(2-phenylethyl)pyrrole

2-methyl-1,5-bis(2-phenylethyl)pyrrole (PubChem CID 102088618) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-1,5-bis(2-phenylethyl)pyrrole.

Molecular Properties

Compound Name2-methyl-1,5-bis(2-phenylethyl)pyrrole
PubChem CID102088618
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name2-methyl-1,5-bis(2-phenylethyl)pyrrole
SMILESCc1ccc(CCc2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C21H23N/c1-18-12-14-21(15-13-19-8-4-2-5-9-19)22(18)17-16-20-10-6-3-7-11-20/h2-12,14H,13,15-17H2,1H3
InChIKeyJLNOVOUFDJDHBQ-UHFFFAOYSA-N
XLogP4.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[2-methyl-5-[2-(2-phenylphenyl)ethyl]pyrrol-1-yl]ethyl]phenol
CID 22387515
2-methyl-1-phenyl-5-(2-phenylethyl)pyrrole
CID 71396512
2,6-dimethyl-1-(2-phenylethyl)pyridine-4-thione
CID 710608
4-[5-methyl-1-(2-phenylethyl)pyrrol-2-yl]benzonitrile
CID 16752819
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
benzene;2-phenylethylbenzene
CID 18982764
ethane;methane;2-phenylethylbenzene
CID 158652330
hafnium;2-phenylethylbenzene
CID 173109801
2-ethyl-4-[2-[2-methyl-5-[2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]pyrrol-1-yl]ethyl]phenol
CID 160662347
5-methyl-4-(2-phenylethyl)thieno[3,2-b]pyrrole
CID 123346912
1-benzyl-5-(2-phenylethyl)pyrrole-2-carbaldehyde
CID 100793435
5-methyl-1-(2-phenylethyl)pyrazole
CID 10419930

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5-bis(2-phenylethyl)pyrrole?
The IUPAC name of 2-methyl-1,5-bis(2-phenylethyl)pyrrole (CID 102088618) is 2-methyl-1,5-bis(2-phenylethyl)pyrrole.
What is the SMILES notation for 2-methyl-1,5-bis(2-phenylethyl)pyrrole?
The canonical SMILES for 2-methyl-1,5-bis(2-phenylethyl)pyrrole is Cc1ccc(CCc2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 2-methyl-1,5-bis(2-phenylethyl)pyrrole?
The InChIKey is JLNOVOUFDJDHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-18-12-14-21(15-13-19-8-4-2-5-9-19)22(18)17-16-20-10-6-3-7-11-20/h2-12,14H,13,15-17H2,1H3.
What are the key properties of 2-methyl-1,5-bis(2-phenylethyl)pyrrole?
2-methyl-1,5-bis(2-phenylethyl)pyrrole has a molecular weight of 289.42 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5-bis(2-phenylethyl)pyrrole is sourced from PubChem (CID 102088618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).