1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole

C13H14ClN — CID 2442320

IUPAC1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClN/c1-10-7-8-11(2)15(10)9-12-5-3-4-6-13(12)14/h3-8H,9H2,1-2H3
InChIKeyCJCMJPGNMBFFDC-UHFFFAOYSA-N
MW219.72 g/mol
LogP3.81
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole

1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole (PubChem CID 2442320) has the molecular formula C13H14ClN and a molecular weight of 219.72 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole
PubChem CID2442320
Molecular FormulaC13H14ClN
Molecular Weight219.72 g/mol
Exact Mass219.08
IUPAC Name1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1Cc1ccccc1Cl
InChIInChI=1S/C13H14ClN/c1-10-7-8-11(2)15(10)9-12-5-3-4-6-13(12)14/h3-8H,9H2,1-2H3
InChIKeyCJCMJPGNMBFFDC-UHFFFAOYSA-N
XLogP3.81
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.72
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole (CID 2442320) is 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole?
The InChIKey is CJCMJPGNMBFFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN/c1-10-7-8-11(2)15(10)9-12-5-3-4-6-13(12)14/h3-8H,9H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole?
1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole has a molecular weight of 219.72 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 2442320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).