2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline

C15H20N2S — CID 79476383

IUPAC2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESC[C@H](N)c1ccccc1N(C)CCc1cccs1
InChIInChI=1S/C15H20N2S/c1-12(16)14-7-3-4-8-15(14)17(2)10-9-13-6-5-11-18-13/h3-8,11-12H,9-10,16H2,1-2H3/t12-/m0/s1
InChIKeyZGERJJRZHCSGGK-LBPRGKRZSA-N
MW260.41 g/mol
LogP3.45
Rot. Bonds5

About 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline

2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline (PubChem CID 79476383) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline.

Molecular Properties

Compound Name2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
PubChem CID79476383
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
SMILESC[C@H](N)c1ccccc1N(C)CCc1cccs1
InChIInChI=1S/C15H20N2S/c1-12(16)14-7-3-4-8-15(14)17(2)10-9-13-6-5-11-18-13/h3-8,11-12H,9-10,16H2,1-2H3/t12-/m0/s1
InChIKeyZGERJJRZHCSGGK-LBPRGKRZSA-N
XLogP3.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-[methyl(2-thiophen-2-ylethyl)amino]phenyl]ethanol
CID 79486328
2-(1-aminoethyl)-5-bromo-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 82968110
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
(1R)-1-[2-[methyl(thiophen-2-ylmethyl)amino]phenyl]ethanol
CID 78939689
1-(2-fluorophenyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79475888
6-(1-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 83127479
2-(difluoromethyl)-1-N-methyl-1-N-(2-thiophen-2-ylethyl)benzene-1,4-diamine
CID 79476283
2-[methyl(2-thiophen-2-ylethyl)amino]benzonitrile
CID 79494134
1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
1-[2-(2-thiophen-2-ylethoxy)phenyl]ethanamine
CID 54966969

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The IUPAC name of 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline (CID 79476383) is 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline.
What is the SMILES notation for 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The canonical SMILES for 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline is C[C@H](N)c1ccccc1N(C)CCc1cccs1.
What is the InChIKey of 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
The InChIKey is ZGERJJRZHCSGGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12(16)14-7-3-4-8-15(14)17(2)10-9-13-6-5-11-18-13/h3-8,11-12H,9-10,16H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline?
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline has a molecular weight of 260.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline is sourced from PubChem (CID 79476383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).