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

C14H20FNS — CID 105095868

IUPACN-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1CCSC1
InChIInChI=1S/C14H20FNS/c1-2-16-14(12-6-7-17-10-12)9-11-4-3-5-13(15)8-11/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3
InChIKeyNWCVDOLDXKBNRE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.10
Rot. Bonds5

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

N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine (PubChem CID 105095868) has the molecular formula C14H20FNS and a molecular weight of 253.39 g/mol. Its IUPAC name is N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
PubChem CID105095868
Molecular FormulaC14H20FNS
Molecular Weight253.39 g/mol
Exact Mass253.13
IUPAC NameN-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine
SMILESCCNC(Cc1cccc(F)c1)C1CCSC1
InChIInChI=1S/C14H20FNS/c1-2-16-14(12-6-7-17-10-12)9-11-4-3-5-13(15)8-11/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3
InChIKeyNWCVDOLDXKBNRE-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.10
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
N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
N-[2-(3,5-difluorophenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105412296
N-ethyl-2-(2-methylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105091772
N-[2-(3-methoxyphenyl)-1-(thiolan-3-yl)ethyl]propan-1-amine
CID 105133765
2-(3-chlorophenyl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105085979
1-cyclopropyl-N-ethyl-3-(3-fluorophenyl)-1-methoxypropan-2-amine
CID 116722529
N-ethyl-2-(3-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethanamine
CID 105096166
1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105095850
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
N-ethyl-1-(4-ethylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 64776051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine?
The IUPAC name of N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine (CID 105095868) is N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine is CCNC(Cc1cccc(F)c1)C1CCSC1.
What is the InChIKey of N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine?
The InChIKey is NWCVDOLDXKBNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNS/c1-2-16-14(12-6-7-17-10-12)9-11-4-3-5-13(15)8-11/h3-5,8,12,14,16H,2,6-7,9-10H2,1H3.
What are the key properties of N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine?
N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine has a molecular weight of 253.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-fluorophenyl)-1-(thiolan-3-yl)ethanamine is sourced from PubChem (CID 105095868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).