1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine

C19H19ClN2 — CID 171342960

IUPAC1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C19H19ClN2/c1-14-16(13-21-2)12-19(15-8-10-17(20)11-9-15)22(14)18-6-4-3-5-7-18/h3-12,21H,13H2,1-2H3
InChIKeyQWJGRSYHARDEJM-UHFFFAOYSA-N
MW310.83 g/mol
LogP4.83
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine

1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 171342960) has the molecular formula C19H19ClN2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine
PubChem CID171342960
Molecular FormulaC19H19ClN2
Molecular Weight310.83 g/mol
Exact Mass310.12
IUPAC Name1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C
InChIInChI=1S/C19H19ClN2/c1-14-16(13-21-2)12-19(15-8-10-17(20)11-9-15)22(14)18-6-4-3-5-7-18/h3-12,21H,13H2,1-2H3
InChIKeyQWJGRSYHARDEJM-UHFFFAOYSA-N
XLogP4.83
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine (CID 171342960) is 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1C.
What is the InChIKey of 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is QWJGRSYHARDEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2/c1-14-16(13-21-2)12-19(15-8-10-17(20)11-9-15)22(14)18-6-4-3-5-7-18/h3-12,21H,13H2,1-2H3.
What are the key properties of 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine?
1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 310.83 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-2-methyl-1-phenylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 171342960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).