N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine

C15H22FNS — CID 105188273

IUPACN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCSC1
InChIInChI=1S/C15H22FNS/c1-3-17-15(13-6-7-18-10-13)9-12-4-5-14(16)8-11(12)2/h4-5,8,13,15,17H,3,6-7,9-10H2,1-2H3
InChIKeyVVYBFWBLTMSHGK-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine

N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105188273) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
PubChem CID105188273
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC NameN-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1ccc(F)cc1C)C1CCSC1
InChIInChI=1S/C15H22FNS/c1-3-17-15(13-6-7-18-10-13)9-12-4-5-14(16)8-11(12)2/h4-5,8,13,15,17H,3,6-7,9-10H2,1-2H3
InChIKeyVVYBFWBLTMSHGK-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

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Related Compounds

N-ethyl-2-(5-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105377161
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105095868
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
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-(4-fluoro-2-methylphenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191349
N-[2-(4-fluoro-2-methylphenyl)-1-(4-methylcyclohexyl)ethyl]propan-1-amine
CID 114347799
N-ethyl-1-(3-ethylcyclopentyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine (CID 105188273) is N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine is CCNC(Cc1ccc(F)cc1C)C1CCSC1.
What is the InChIKey of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is VVYBFWBLTMSHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-17-15(13-6-7-18-10-13)9-12-4-5-14(16)8-11(12)2/h4-5,8,13,15,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine?
N-ethyl-2-(4-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-(4-fluoro-2-methylphenyl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105188273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).