N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine

C15H23NS — CID 105091772

IUPACN-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1CCSC1
InChIInChI=1S/C15H23NS/c1-3-16-15(14-8-9-17-11-14)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyVDTSCUKMIULBKO-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.27
Rot. Bonds5

About N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine

N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105091772) 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-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
PubChem CID105091772
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1ccccc1C)C1CCSC1
InChIInChI=1S/C15H23NS/c1-3-16-15(14-8-9-17-11-14)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3
InChIKeyVDTSCUKMIULBKO-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
2-(2-methylphenyl)-1-(thiolan-3-yl)ethanol
CID 105078128
N-ethyl-2-(2-methylphenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425325
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
N-ethyl-2-(2-methylphenyl)-1-(thiolan-2-yl)ethanamine
CID 80622154
N-ethyl-2-(2-methylphenyl)-1-(thian-2-yl)ethanamine
CID 80627155
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-(2-methylphenyl)-N-(thiolan-3-ylmethyl)propan-2-amine
CID 107131856
N-[2-(2,3-dichlorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 107312279
N-ethyl-2-(2-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 66475769
1-(3,4-dimethylcyclohexyl)-N-ethyl-3-(2-methylphenyl)propan-1-amine
CID 105154585

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine (CID 105091772) is N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine is CCNC(Cc1ccccc1C)C1CCSC1.
What is the InChIKey of N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is VDTSCUKMIULBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-16-15(14-8-9-17-11-14)10-13-7-5-4-6-12(13)2/h4-7,14-16H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 3.27, 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-3-yl)ethanamine is sourced from PubChem (CID 105091772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).