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

C23H27N3 — CID 132578412

IUPAC2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCCc1ccccc1NCc1cccc(CNc2ccccc2CC)n1
InChIInChI=1S/C23H27N3/c1-3-18-10-5-7-14-22(18)24-16-20-12-9-13-21(26-20)17-25-23-15-8-6-11-19(23)4-2/h5-15,24-25H,3-4,16-17H2,1-2H3
InChIKeyGJQPGDGKYZTFON-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.43
Rot. Bonds8

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

2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline (PubChem CID 132578412) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline.

Molecular Properties

Compound Name2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
PubChem CID132578412
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline
SMILESCCc1ccccc1NCc1cccc(CNc2ccccc2CC)n1
InChIInChI=1S/C23H27N3/c1-3-18-10-5-7-14-22(18)24-16-20-12-9-13-21(26-20)17-25-23-15-8-6-11-19(23)4-2/h5-15,24-25H,3-4,16-17H2,1-2H3
InChIKeyGJQPGDGKYZTFON-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 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
The IUPAC name of 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline (CID 132578412) is 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline.
What is the SMILES notation for 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
The canonical SMILES for 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline is CCc1ccccc1NCc1cccc(CNc2ccccc2CC)n1.
What is the InChIKey of 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
The InChIKey is GJQPGDGKYZTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-3-18-10-5-7-14-22(18)24-16-20-12-9-13-21(26-20)17-25-23-15-8-6-11-19(23)4-2/h5-15,24-25H,3-4,16-17H2,1-2H3.
What are the key properties of 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline?
2-ethyl-N-[[6-[(2-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 2-ethyl-N-[[6-[(2-ethylanilino)methyl]-2-pyridinyl]methyl]aniline is sourced from PubChem (CID 132578412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).