N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine

C16H25NS — CID 80627155

IUPACN-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1CCCCS1
InChIInChI=1S/C16H25NS/c1-3-17-15(16-10-6-7-11-18-16)12-14-9-5-4-8-13(14)2/h4-5,8-9,15-17H,3,6-7,10-12H2,1-2H3
InChIKeyWYFDHXMPGVIQNS-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.80
Rot. Bonds5

About N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine

N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine (PubChem CID 80627155) has the molecular formula C16H25NS and a molecular weight of 263.45 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
PubChem CID80627155
Molecular FormulaC16H25NS
Molecular Weight263.45 g/mol
Exact Mass263.17
IUPAC NameN-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1CCCCS1
InChIInChI=1S/C16H25NS/c1-3-17-15(16-10-6-7-11-18-16)12-14-9-5-4-8-13(14)2/h4-5,8-9,15-17H,3,6-7,10-12H2,1-2H3
InChIKeyWYFDHXMPGVIQNS-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)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-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
N-ethyl-1-(thian-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 80626497
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627803
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
CID 80622972
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(thian-2-yl)ethanamine
CID 80626898
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
N-[(2,3-dimethylphenyl)-(thian-2-yl)methyl]ethanamine
CID 80626492
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
N-ethyl-1-(thian-2-yl)-3-thiophen-3-ylpropan-1-amine
CID 80626936
1-(1,4-dithian-2-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 79966538

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine (CID 80627155) is N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine is CCNC(Cc1ccccc1C)C1CCCCS1.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine?
The InChIKey is WYFDHXMPGVIQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NS/c1-3-17-15(16-10-6-7-11-18-16)12-14-9-5-4-8-13(14)2/h4-5,8-9,15-17H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine?
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine has a molecular weight of 263.45 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine is sourced from PubChem (CID 80627155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).