N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine

C15H22FNS — CID 105377161

IUPACN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CCSC1
InChIInChI=1S/C15H22FNS/c1-3-17-15(12-6-7-18-10-12)9-13-8-14(16)5-4-11(13)2/h4-5,8,12,15,17H,3,6-7,9-10H2,1-2H3
InChIKeyNJEYIHMOVGNSMB-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105377161) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
PubChem CID105377161
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1cc(F)ccc1C)C1CCSC1
InChIInChI=1S/C15H22FNS/c1-3-17-15(12-6-7-18-10-12)9-13-8-14(16)5-4-11(13)2/h4-5,8,12,15,17H,3,6-7,9-10H2,1-2H3
InChIKeyNJEYIHMOVGNSMB-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-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-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105188273
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013
1-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374247
3-cyclopropyl-N-ethyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377444
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
1-(1,4-dithian-2-yl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105374162

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine (CID 105377161) is N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine is CCNC(Cc1cc(F)ccc1C)C1CCSC1.
What is the InChIKey of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is NJEYIHMOVGNSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-17-15(12-6-7-18-10-12)9-13-8-14(16)5-4-11(13)2/h4-5,8,12,15,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 267.41 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-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105377161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).