4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline

C18H26N2S — CID 83963038

IUPAC4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
SMILESCCN(CC)CCc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-3-20(4-2)14-12-16-7-9-17(10-8-16)19-13-11-18-6-5-15-21-18/h5-10,15,19H,3-4,11-14H2,1-2H3
InChIKeyXHAJRJUWMVZCSC-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.29
Rot. Bonds9

About 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline

4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 83963038) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
PubChem CID83963038
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC Name4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
SMILESCCN(CC)CCc1ccc(NCCc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-3-20(4-2)14-12-16-7-9-17(10-8-16)19-13-11-18-6-5-15-21-18/h5-10,15,19H,3-4,11-14H2,1-2H3
InChIKeyXHAJRJUWMVZCSC-UHFFFAOYSA-N
XLogP4.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfanylmethyl)-N-(2-thiophen-2-ylethyl)aniline
CID 83961211
4-iodo-N-(2-thiophen-2-ylethyl)aniline
CID 63775663
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
4-[2-(diethylamino)ethyl]-N-[3-(furan-2-yl)propyl]aniline
CID 83963022
3,4-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63773614
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
CID 105347484
N'-ethyl-N-propan-2-yl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 63774752
3,5-dimethyl-N-(2-thiophen-2-ylethyl)aniline
CID 63774162
N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494017
4-(difluoromethylsulfonyl)-N-(2-thiophen-2-ylethyl)aniline
CID 43455311
4-ethyl-3-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 114250199
N-methyl-4-(2-thiophen-2-ylethylamino)benzenesulfonamide
CID 43453843

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline (CID 83963038) is 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline is CCN(CC)CCc1ccc(NCCc2cccs2)cc1.
What is the InChIKey of 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is XHAJRJUWMVZCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-3-20(4-2)14-12-16-7-9-17(10-8-16)19-13-11-18-6-5-15-21-18/h5-10,15,19H,3-4,11-14H2,1-2H3.
What are the key properties of 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline?
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 302.49 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 83963038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).