1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine

C19H18Cl2N2 — CID 171350366

IUPAC1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H18Cl2N2/c1-13-15(12-22-2)11-19(14-3-5-16(20)6-4-14)23(13)18-9-7-17(21)8-10-18/h3-11,22H,12H2,1-2H3
InChIKeyNBKOQNMLSBJJOJ-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.48
Rot. Bonds4

About 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine

1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine (PubChem CID 171350366) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine
PubChem CID171350366
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC Name1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C19H18Cl2N2/c1-13-15(12-22-2)11-19(14-3-5-16(20)6-4-14)23(13)18-9-7-17(21)8-10-18/h3-11,22H,12H2,1-2H3
InChIKeyNBKOQNMLSBJJOJ-UHFFFAOYSA-N
XLogP5.48
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.48
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-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine (CID 171350366) is 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine?
The InChIKey is NBKOQNMLSBJJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2/c1-13-15(12-22-2)11-19(14-3-5-16(20)6-4-14)23(13)18-9-7-17(21)8-10-18/h3-11,22H,12H2,1-2H3.
What are the key properties of 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine?
1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine has a molecular weight of 345.27 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 171350366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).