2,5-dimethyl-1-(2-phenylethyl)pyrrole

C14H17N — CID 2442134

IUPAC2,5-dimethyl-1-(2-phenylethyl)pyrrole
SMILESCc1ccc(C)n1CCc1ccccc1
InChIInChI=1S/C14H17N/c1-12-8-9-13(2)15(12)11-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyPLDQUNMUOIQIEP-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.35
Rot. Bonds3

About 2,5-dimethyl-1-(2-phenylethyl)pyrrole

2,5-dimethyl-1-(2-phenylethyl)pyrrole (PubChem CID 2442134) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2,5-dimethyl-1-(2-phenylethyl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(2-phenylethyl)pyrrole
PubChem CID2442134
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2,5-dimethyl-1-(2-phenylethyl)pyrrole
SMILESCc1ccc(C)n1CCc1ccccc1
InChIInChI=1S/C14H17N/c1-12-8-9-13(2)15(12)11-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3
InChIKeyPLDQUNMUOIQIEP-UHFFFAOYSA-N
XLogP3.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Triprolidine Hydrochloride Anhydrous
CID 5702129
5-Ethyl-2-methylpyridine
CID 7728
Iprindole
CID 21722
2-(3-Phenylpropyl)Pyridine
CID 459494
(R)-Nicotine
CID 157672
Sib 1893
CID 5311432
Mpep
CID 3025961
2,3,6-Trimethylpyridine
CID 15100

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(2-phenylethyl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(2-phenylethyl)pyrrole (CID 2442134) is 2,5-dimethyl-1-(2-phenylethyl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(2-phenylethyl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(2-phenylethyl)pyrrole is Cc1ccc(C)n1CCc1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-(2-phenylethyl)pyrrole?
The InChIKey is PLDQUNMUOIQIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-12-8-9-13(2)15(12)11-10-14-6-4-3-5-7-14/h3-9H,10-11H2,1-2H3.
What are the key properties of 2,5-dimethyl-1-(2-phenylethyl)pyrrole?
2,5-dimethyl-1-(2-phenylethyl)pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.35, 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-(2-phenylethyl)pyrrole is sourced from PubChem (CID 2442134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).