N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine

C18H26N2S — CID 105347484

IUPACN-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN(CC)Cc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-3-19-12-11-16-7-9-17(10-8-16)14-20(4-2)15-18-6-5-13-21-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeyUSZKJZPPYJOMHH-UHFFFAOYSA-N
MW302.49 g/mol
LogP3.92
Rot. Bonds9

About N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine

N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine (PubChem CID 105347484) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
PubChem CID105347484
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine
SMILESCCNCCc1ccc(CN(CC)Cc2cccs2)cc1
InChIInChI=1S/C18H26N2S/c1-3-19-12-11-16-7-9-17(10-8-16)14-20(4-2)15-18-6-5-13-21-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3
InChIKeyUSZKJZPPYJOMHH-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine 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,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 43458870
N-[(3,4-difluorophenyl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 78815768
N-ethyl-N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methylprop-2-en-1-amine
CID 105346685
4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]benzamide
CID 17399698
2-bromo-5-[[ethyl(thiophen-2-ylmethyl)amino]methyl]aniline
CID 113335085
4-[2-(diethylamino)ethyl]-N-(2-thiophen-2-ylethyl)aniline
CID 83963038
N-ethyl-2-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 78825986
N-ethyl-6-thiophen-2-ylhexan-1-amine
CID 65308427
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 105347185
N-[[4-[2-(ethylamino)ethyl]phenyl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 105346416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The IUPAC name of N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine (CID 105347484) is N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The canonical SMILES for N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine is CCNCCc1ccc(CN(CC)Cc2cccs2)cc1.
What is the InChIKey of N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine?
The InChIKey is USZKJZPPYJOMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-3-19-12-11-16-7-9-17(10-8-16)14-20(4-2)15-18-6-5-13-21-18/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3.
What are the key properties of N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine?
N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine has a molecular weight of 302.49 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]phenyl]ethanamine is sourced from PubChem (CID 105347484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).