1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole

C14H16ClN — CID 55029213

IUPAC1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN/c1-10-4-5-11(2)16(10)12(3)13-6-8-14(15)9-7-13/h4-9,12H,1-3H3
InChIKeyZOBMUWLWHMNSDJ-UHFFFAOYSA-N
MW233.74 g/mol
LogP4.37
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole

1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole (PubChem CID 55029213) has the molecular formula C14H16ClN and a molecular weight of 233.74 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole
PubChem CID55029213
Molecular FormulaC14H16ClN
Molecular Weight233.74 g/mol
Exact Mass233.10
IUPAC Name1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN/c1-10-4-5-11(2)16(10)12(3)13-6-8-14(15)9-7-13/h4-9,12H,1-3H3
InChIKeyZOBMUWLWHMNSDJ-UHFFFAOYSA-N
XLogP4.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_N(1)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole
CID 82082972
1-(4-chlorophenyl)ethylazanium
CID 18541873
3-[1-(4-chlorophenyl)ethyl]-1H-imidazol-2-one
CID 103125378
1-(4-chlorophenyl)ethaneselenol
CID 139265582
2-[1-(4-chlorophenyl)ethyl]-5-methyl-4H-pyrazol-3-one
CID 131881025
3-[1-(4-chlorophenyl)ethyl]-1H-quinazoline-2,4-dione
CID 68743777
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
1-[1-(4-chlorophenyl)ethyl]-1,3-diazinane-2,4,6-trione
CID 112597865
1-[1-(4-chlorophenyl)ethyl]-3-methylpiperazine
CID 64925953
1-chloro-4-(dibromomethyl)benzene
CID 3017302
1-[1-(4-chlorophenyl)ethyl]-2-ethyl-5,5-dimethylpiperazine
CID 64948195
3-(4-chlorophenyl)-4-(1-phenylethyl)-1H-1,2,4-triazole-5-thione
CID 2945404

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole (CID 55029213) is 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1C(C)c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole?
The InChIKey is ZOBMUWLWHMNSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN/c1-10-4-5-11(2)16(10)12(3)13-6-8-14(15)9-7-13/h4-9,12H,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole?
1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole has a molecular weight of 233.74 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 55029213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).