N-(dithiophen-2-ylmethyl)-2-ethylaniline

C17H17NS2 — CID 43764558

IUPACN-(dithiophen-2-ylmethyl)-2-ethylaniline
SMILESCCc1ccccc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C17H17NS2/c1-2-13-7-3-4-8-14(13)18-17(15-9-5-11-19-15)16-10-6-12-20-16/h3-12,17-18H,2H2,1H3
InChIKeyZHNIGUXBHHQGTR-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.57
Rot. Bonds5

About N-(dithiophen-2-ylmethyl)-2-ethylaniline

N-(dithiophen-2-ylmethyl)-2-ethylaniline (PubChem CID 43764558) has the molecular formula C17H17NS2 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-(dithiophen-2-ylmethyl)-2-ethylaniline.

Molecular Properties

Compound NameN-(dithiophen-2-ylmethyl)-2-ethylaniline
PubChem CID43764558
Molecular FormulaC17H17NS2
Molecular Weight299.46 g/mol
Exact Mass299.08
IUPAC NameN-(dithiophen-2-ylmethyl)-2-ethylaniline
SMILESCCc1ccccc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C17H17NS2/c1-2-13-7-3-4-8-14(13)18-17(15-9-5-11-19-15)16-10-6-12-20-16/h3-12,17-18H,2H2,1H3
InChIKeyZHNIGUXBHHQGTR-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(dithiophen-2-ylmethyl)-2-ethylaniline
CID 81287893
N-(dithiophen-2-ylmethyl)-2-ethylsulfanylaniline
CID 60935812
2-(2-ethylanilino)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41392516
1-N,1-N'-bis(2-ethylphenyl)ethane-1,1-diamine
CID 129291272
N-[2-(2-ethylanilino)-2-oxoethyl]-2-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8869119
2-(ethoxymethyl)-N-(2-methyl-1-thiophen-2-ylpropyl)aniline
CID 43792087
N-methyl-N-[[2-(1-thiophen-2-ylpropylamino)phenyl]methyl]acetamide
CID 43692049
4-bromo-2-ethyl-N-(1-thiophen-2-ylethyl)aniline
CID 81292571
[2-(2-ethylanilino)-2-oxoethyl]-[(S)-phenyl(thiophen-2-yl)methyl]azanium
CID 9051415
2-(pyrazol-1-ylmethyl)-N-(1-thiophen-2-ylpropyl)aniline
CID 43693800
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
4-(dithiophen-2-ylmethylamino)-2,5-dimethylphenol
CID 106953646

Frequently Asked Questions

What is the IUPAC name of N-(dithiophen-2-ylmethyl)-2-ethylaniline?
The IUPAC name of N-(dithiophen-2-ylmethyl)-2-ethylaniline (CID 43764558) is N-(dithiophen-2-ylmethyl)-2-ethylaniline.
What is the SMILES notation for N-(dithiophen-2-ylmethyl)-2-ethylaniline?
The canonical SMILES for N-(dithiophen-2-ylmethyl)-2-ethylaniline is CCc1ccccc1NC(c1cccs1)c1cccs1.
What is the InChIKey of N-(dithiophen-2-ylmethyl)-2-ethylaniline?
The InChIKey is ZHNIGUXBHHQGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NS2/c1-2-13-7-3-4-8-14(13)18-17(15-9-5-11-19-15)16-10-6-12-20-16/h3-12,17-18H,2H2,1H3.
What are the key properties of N-(dithiophen-2-ylmethyl)-2-ethylaniline?
N-(dithiophen-2-ylmethyl)-2-ethylaniline has a molecular weight of 299.46 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dithiophen-2-ylmethyl)-2-ethylaniline is sourced from PubChem (CID 43764558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).