2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline

C16H21NS — CID 43682936

IUPAC2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1cccs1
InChIInChI=1S/C16H21NS/c1-12(15-10-7-11-18-15)17-14-9-6-5-8-13(14)16(2,3)4/h5-12,17H,1-4H3
InChIKeySLDDSJJTOUDZLG-UHFFFAOYSA-N
MW259.42 g/mol
LogP5.22
Rot. Bonds3

About 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline

2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline (PubChem CID 43682936) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
PubChem CID43682936
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
SMILESCC(Nc1ccccc1C(C)(C)C)c1cccs1
InChIInChI=1S/C16H21NS/c1-12(15-10-7-11-18-15)17-14-9-6-5-8-13(14)16(2,3)4/h5-12,17H,1-4H3
InChIKeySLDDSJJTOUDZLG-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromothiophen-2-yl)ethyl]-2-tert-butylaniline
CID 107354017
2-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 43534396
2-tert-butyl-N-(1-phenylethyl)aniline
CID 43226869
N-(1-thiophen-2-ylethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689182
2-tert-butyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]aniline
CID 43682979
N-[2-(2-tert-butylphenoxy)ethyl]-1-thiophen-2-ylethanamine
CID 63504424
2-tert-butyl-N-[1-(4-iodophenyl)ethyl]aniline
CID 43780792
2-propoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43682309
2-methyl-1-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
CID 43534379
N-[(1R)-1-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 81398630
4-chloro-2-methyl-N-(1-thiophen-2-ylethyl)aniline
CID 43093280
3-methylsulfonyl-1-N-(1-thiophen-2-ylethyl)benzene-1,2-diamine
CID 82003449

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline (CID 43682936) is 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline is CC(Nc1ccccc1C(C)(C)C)c1cccs1.
What is the InChIKey of 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline?
The InChIKey is SLDDSJJTOUDZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NS/c1-12(15-10-7-11-18-15)17-14-9-6-5-8-13(14)16(2,3)4/h5-12,17H,1-4H3.
What are the key properties of 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline?
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline has a molecular weight of 259.42 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 43682936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).