3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline

C23H27N3 — CID 134146282

IUPAC3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCCc1cccc(NCc2cccc(CNc3cccc(CC)c3)n2)c1
InChIInChI=1S/C23H27N3/c1-3-18-8-5-10-20(14-18)24-16-22-12-7-13-23(26-22)17-25-21-11-6-9-19(4-2)15-21/h5-15,24-25H,3-4,16-17H2,1-2H3
InChIKeyASQROZCSOAYODT-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.43
Rot. Bonds8

About 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline

3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 134146282) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID134146282
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCCc1cccc(NCc2cccc(CNc3cccc(CC)c3)n2)c1
InChIInChI=1S/C23H27N3/c1-3-18-8-5-10-20(14-18)24-16-22-12-7-13-23(26-22)17-25-21-11-6-9-19(4-2)15-21/h5-15,24-25H,3-4,16-17H2,1-2H3
InChIKeyASQROZCSOAYODT-UHFFFAOYSA-N
XLogP5.43
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline (CID 134146282) is 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline is CCc1cccc(NCc2cccc(CNc3cccc(CC)c3)n2)c1.
What is the InChIKey of 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is ASQROZCSOAYODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-3-18-8-5-10-20(14-18)24-16-22-12-7-13-23(26-22)17-25-21-11-6-9-19(4-2)15-21/h5-15,24-25H,3-4,16-17H2,1-2H3.
What are the key properties of 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline has a molecular weight of 345.49 g/mol, XLogP of 5.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[6-[(3-ethylanilino)methyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 134146282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).