1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine

C19H20N2 — CID 70694340

IUPAC1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(Cc2ccccc2)c1
InChIInChI=1S/C19H20N2/c1-20-13-17-12-19(18-10-6-3-7-11-18)21(15-17)14-16-8-4-2-5-9-16/h2-12,15,20H,13-14H2,1H3
InChIKeyQEQLGGULCWPDCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.92
Rot. Bonds5

About 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine

1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine (PubChem CID 70694340) has the molecular formula C19H20N2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine
PubChem CID70694340
Molecular FormulaC19H20N2
Molecular Weight276.38 g/mol
Exact Mass276.16
IUPAC Name1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine
SMILESCNCc1cc(-c2ccccc2)n(Cc2ccccc2)c1
InChIInChI=1S/C19H20N2/c1-20-13-17-12-19(18-10-6-3-7-11-18)21(15-17)14-16-8-4-2-5-9-16/h2-12,15,20H,13-14H2,1H3
InChIKeyQEQLGGULCWPDCH-UHFFFAOYSA-N
XLogP3.92
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine (CID 70694340) is 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine is CNCc1cc(-c2ccccc2)n(Cc2ccccc2)c1.
What is the InChIKey of 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine?
The InChIKey is QEQLGGULCWPDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2/c1-20-13-17-12-19(18-10-6-3-7-11-18)21(15-17)14-16-8-4-2-5-9-16/h2-12,15,20H,13-14H2,1H3.
What are the key properties of 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine?
1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine has a molecular weight of 276.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-5-phenylpyrrol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 70694340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).