2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine

C13H18FNOS — CID 104794195

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
SMILESCOc1cccc(CC(N)C2CCCS2)c1F
InChIInChI=1S/C13H18FNOS/c1-16-11-5-2-4-9(13(11)14)8-10(15)12-6-3-7-17-12/h2,4-5,10,12H,3,6-8,15H2,1H3
InChIKeyQRVAYBNLNHBEGD-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine

2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine (PubChem CID 104794195) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
PubChem CID104794195
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine
SMILESCOc1cccc(CC(N)C2CCCS2)c1F
InChIInChI=1S/C13H18FNOS/c1-16-11-5-2-4-9(13(11)14)8-10(15)12-6-3-7-17-12/h2,4-5,10,12H,3,6-8,15H2,1H3
InChIKeyQRVAYBNLNHBEGD-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151
2-(3-chloro-2-fluorophenyl)-1-(thian-2-yl)ethanamine
CID 102857840
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
2-(2-fluoro-3-methoxyphenyl)-1-(oxolan-3-yl)ethanamine
CID 104794025
2-(2-bromophenyl)-1-(thiolan-2-yl)ethanamine
CID 80623175
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
1-(1,4-dithian-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79971404
2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethanamine
CID 80626770
1-cyclohexyl-3-(2-fluoro-3-methoxyphenyl)-1-methoxypropan-2-amine
CID 116771238
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
3-[2-amino-2-(thiolan-2-yl)ethyl]pyridin-2-amine
CID 80621765

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine (CID 104794195) is 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine is COc1cccc(CC(N)C2CCCS2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine?
The InChIKey is QRVAYBNLNHBEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-16-11-5-2-4-9(13(11)14)8-10(15)12-6-3-7-17-12/h2,4-5,10,12H,3,6-8,15H2,1H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine?
2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine has a molecular weight of 255.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(thiolan-2-yl)ethanamine is sourced from PubChem (CID 104794195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).