1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine

C15H22FNOS — CID 105176539

IUPAC1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1cc(F)ccc1OC
InChIInChI=1S/C15H22FNOS/c1-17-14(9-11-5-7-19-8-6-11)13-10-12(16)3-4-15(13)18-2/h3-4,10-11,14,17H,5-9H2,1-2H3
InChIKeyIVGIHCQLFBWPKN-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.63
Rot. Bonds5

About 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine

1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine (PubChem CID 105176539) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
PubChem CID105176539
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
SMILESCNC(CC1CCSCC1)c1cc(F)ccc1OC
InChIInChI=1S/C15H22FNOS/c1-17-14(9-11-5-7-19-8-6-11)13-10-12(16)3-4-15(13)18-2/h3-4,10-11,14,17H,5-9H2,1-2H3
InChIKeyIVGIHCQLFBWPKN-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(oxolan-3-yl)ethanamine
CID 103987025
1-(3,4-dimethoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105141218
[2-cyclohexyl-1-(5-fluoro-2-methoxyphenyl)ethyl]hydrazine
CID 105330836
1-(4-methoxy-2-methylphenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105115477
1-(5-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 43485635
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(thian-4-yl)ethanamine
CID 105142551
1-(5-fluoro-2-methoxyphenyl)-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 116950446
3-cyclopropyl-3-(5-fluoro-2-methoxyphenyl)-N-methylpropan-1-amine
CID 112508407
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(thian-2-yl)methanamine
CID 82769071
1-(5-fluoro-2-methoxyphenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 82769952
1-(5-fluoro-2-methoxyphenyl)-1-N-methylpentane-1,4-diamine
CID 116949834

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine (CID 105176539) is 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine is CNC(CC1CCSCC1)c1cc(F)ccc1OC.
What is the InChIKey of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
The InChIKey is IVGIHCQLFBWPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-17-14(9-11-5-7-19-8-6-11)13-10-12(16)3-4-15(13)18-2/h3-4,10-11,14,17H,5-9H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine?
1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine has a molecular weight of 283.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methoxyphenyl)-N-methyl-2-(thian-4-yl)ethanamine is sourced from PubChem (CID 105176539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).