4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline

C22H26N2S — CID 155564197

IUPAC4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
SMILESCCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)s2)cc1
InChIInChI=1S/C22H26N2S/c1-3-17-5-9-19(10-6-17)23-15-21-13-14-22(25-21)16-24-20-11-7-18(4-2)8-12-20/h5-14,23-24H,3-4,15-16H2,1-2H3
InChIKeyRBHKPKKLBFWKGG-UHFFFAOYSA-N
MW350.53 g/mol
LogP6.10
Rot. Bonds8

About 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline

4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline (PubChem CID 155564197) has the molecular formula C22H26N2S and a molecular weight of 350.53 g/mol. Its IUPAC name is 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline.

Molecular Properties

Compound Name4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
PubChem CID155564197
Molecular FormulaC22H26N2S
Molecular Weight350.53 g/mol
Exact Mass350.18
IUPAC Name4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline
SMILESCCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)s2)cc1
InChIInChI=1S/C22H26N2S/c1-3-17-5-9-19(10-6-17)23-15-21-13-14-22(25-21)16-24-20-11-7-18(4-2)8-12-20/h5-14,23-24H,3-4,15-16H2,1-2H3
InChIKeyRBHKPKKLBFWKGG-UHFFFAOYSA-N
XLogP6.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline?
The IUPAC name of 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline (CID 155564197) is 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline.
What is the SMILES notation for 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline?
The canonical SMILES for 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline is CCc1ccc(NCc2ccc(CNc3ccc(CC)cc3)s2)cc1.
What is the InChIKey of 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline?
The InChIKey is RBHKPKKLBFWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2S/c1-3-17-5-9-19(10-6-17)23-15-21-13-14-22(25-21)16-24-20-11-7-18(4-2)8-12-20/h5-14,23-24H,3-4,15-16H2,1-2H3.
What are the key properties of 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline?
4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline has a molecular weight of 350.53 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[5-[(4-ethylanilino)methyl]thiophen-2-yl]methyl]aniline is sourced from PubChem (CID 155564197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).