1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

C16H19ClFNOS — CID 3077637

IUPAC1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cccc(Sc2ccc(F)cc2CN(C)C)c1.Cl
InChIInChI=1S/C16H18FNOS.ClH/c1-18(2)11-12-9-13(17)7-8-16(12)20-15-6-4-5-14(10-15)19-3;/h4-10H,11H2,1-3H3;1H
InChIKeyJYQWJFXTIMSSKT-UHFFFAOYSA-N
MW327.85 g/mol
LogP4.47
Rot. Bonds5

About 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride

1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3077637) has the molecular formula C16H19ClFNOS and a molecular weight of 327.85 g/mol. Its IUPAC name is 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3077637
Molecular FormulaC16H19ClFNOS
Molecular Weight327.85 g/mol
Exact Mass327.09
IUPAC Name1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cccc(Sc2ccc(F)cc2CN(C)C)c1.Cl
InChIInChI=1S/C16H18FNOS.ClH/c1-18(2)11-12-9-13(17)7-8-16(12)20-15-6-4-5-14(10-15)19-3;/h4-10H,11H2,1-3H3;1H
InChIKeyJYQWJFXTIMSSKT-UHFFFAOYSA-N
XLogP4.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.85
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride (CID 3077637) is 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is COc1cccc(Sc2ccc(F)cc2CN(C)C)c1.Cl.
What is the InChIKey of 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is JYQWJFXTIMSSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS.ClH/c1-18(2)11-12-9-13(17)7-8-16(12)20-15-6-4-5-14(10-15)19-3;/h4-10H,11H2,1-3H3;1H.
What are the key properties of 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride?
1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 327.85 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(3-methoxyphenyl)sulfanylphenyl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3077637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).