5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine

C11H14FNOS — CID 82391341

IUPAC5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine
SMILESCOc1ccc(F)cc1C1CC(N)CS1
InChIInChI=1S/C11H14FNOS/c1-14-10-3-2-7(12)4-9(10)11-5-8(13)6-15-11/h2-4,8,11H,5-6,13H2,1H3
InChIKeyFXPGVAQUVZGLOD-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.34
Rot. Bonds2

About 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine

5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine (PubChem CID 82391341) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine
PubChem CID82391341
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine
SMILESCOc1ccc(F)cc1C1CC(N)CS1
InChIInChI=1S/C11H14FNOS/c1-14-10-3-2-7(12)4-9(10)11-5-8(13)6-15-11/h2-4,8,11H,5-6,13H2,1H3
InChIKeyFXPGVAQUVZGLOD-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-methoxyphenyl)thiomorpholine
CID 82081138
2-cyclopentyl-4-fluoro-1-methoxybenzene
CID 67457026
3-amino-5-(5-fluoro-2-methoxyphenyl)oxolan-2-one
CID 82158890
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
(2S)-4-fluoro-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 175530284
[2-(5-fluoro-2-methoxyphenyl)cyclohexyl]methanamine
CID 82782278
2-(5-fluoro-2-methoxyphenyl)pyrrolidin-3-one
CID 83834380
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
[(2R,5S)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]methanamine
CID 140530635
2-(5-fluoro-2-methoxyphenyl)-N-methylcyclopentan-1-amine
CID 82782828
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
2-(5-fluoro-2-methoxyphenyl)-N,N-dipropylcyclopropan-1-amine;hydrochloride
CID 45259917

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine?
The IUPAC name of 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine (CID 82391341) is 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine is COc1ccc(F)cc1C1CC(N)CS1.
What is the InChIKey of 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine?
The InChIKey is FXPGVAQUVZGLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-14-10-3-2-7(12)4-9(10)11-5-8(13)6-15-11/h2-4,8,11H,5-6,13H2,1H3.
What are the key properties of 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine?
5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine has a molecular weight of 227.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxyphenyl)thiolan-3-amine is sourced from PubChem (CID 82391341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).