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

C15H23NS — CID 80622154

IUPACN-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1CCCS1
InChIInChI=1S/C15H23NS/c1-3-16-14(15-9-6-10-17-15)11-13-8-5-4-7-12(13)2/h4-5,7-8,14-16H,3,6,9-11H2,1-2H3
InChIKeyVYANTYKFVKUBEO-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.41
Rot. Bonds5

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

N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine (PubChem CID 80622154) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
PubChem CID80622154
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1CCCS1
InChIInChI=1S/C15H23NS/c1-3-16-14(15-9-6-10-17-15)11-13-8-5-4-7-12(13)2/h4-5,7-8,14-16H,3,6,9-11H2,1-2H3
InChIKeyVYANTYKFVKUBEO-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
N-ethyl-2-quinolin-4-yl-1-(thiolan-2-yl)ethanamine
CID 80622972
N-[(2-methylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622267
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80626521
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
2-(2,5-dichlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80622619
N-ethyl-1-(thian-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 80626497
2-(4-bromo-2-chlorophenyl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 113471301
N-ethyl-1-(thiolan-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80622626
2-(2-bromo-5-fluorophenyl)-N-ethyl-1-(thian-2-yl)ethanamine
CID 80627803
2-(4-bromothiophen-2-yl)-N-ethyl-1-(thiolan-2-yl)ethanamine
CID 80621687
N-ethyl-2-(2-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475769

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine (CID 80622154) is N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine is CCNC(Cc1ccccc1C)C1CCCS1.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is VYANTYKFVKUBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-16-14(15-9-6-10-17-15)11-13-8-5-4-7-12(13)2/h4-5,7-8,14-16H,3,6,9-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine?
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.41, 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-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 80622154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).