N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline

C17H24N2S — CID 80727362

IUPACN-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
SMILESCCN(Cc1cc(CNC)sc1C)c1ccccc1C
InChIInChI=1S/C17H24N2S/c1-5-19(17-9-7-6-8-13(17)2)12-15-10-16(11-18-4)20-14(15)3/h6-10,18H,5,11-12H2,1-4H3
InChIKeyNZXKWNMMINVMAZ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.11
Rot. Bonds6

About N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline

N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline (PubChem CID 80727362) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
PubChem CID80727362
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
SMILESCCN(Cc1cc(CNC)sc1C)c1ccccc1C
InChIInChI=1S/C17H24N2S/c1-5-19(17-9-7-6-8-13(17)2)12-15-10-16(11-18-4)20-14(15)3/h6-10,18H,5,11-12H2,1-4H3
InChIKeyNZXKWNMMINVMAZ-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-methyl-N-[[2-(methylaminomethyl)furan-3-yl]methyl]aniline
CID 62423302
N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
1-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727440
4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727150
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine
CID 80728615
N-methyl-1-[5-methyl-4-[[methyl(thiophen-3-ylmethyl)amino]methyl]thiophen-2-yl]methanamine
CID 80727302
1-[4-(benzimidazol-1-ylmethyl)-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728741
3-[(N-ethyl-2-methylanilino)methyl]-N-methylpyridin-2-amine
CID 55075691
1-[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80728155
1-[4-[[(3-bromophenyl)methyl-methylamino]methyl]-5-methylthiophen-2-yl]-N-methylmethanamine
CID 80727647

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
The IUPAC name of N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline (CID 80727362) is N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline.
What is the SMILES notation for N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
The canonical SMILES for N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline is CCN(Cc1cc(CNC)sc1C)c1ccccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
The InChIKey is NZXKWNMMINVMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-19(17-9-7-6-8-13(17)2)12-15-10-16(11-18-4)20-14(15)3/h6-10,18H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline?
N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline has a molecular weight of 288.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline is sourced from PubChem (CID 80727362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).