1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine

C17H17FN2S — CID 11312629

IUPAC1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1cn(C)c2ccccc12
InChIInChI=1S/C17H17FN2S/c1-19-10-12-9-13(18)7-8-16(12)21-17-11-20(2)15-6-4-3-5-14(15)17/h3-9,11,19H,10H2,1-2H3
InChIKeyGSQKWOTXQQPXEG-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.19
Rot. Bonds4

About 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine

1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine (PubChem CID 11312629) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine
PubChem CID11312629
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1cn(C)c2ccccc12
InChIInChI=1S/C17H17FN2S/c1-19-10-12-9-13(18)7-8-16(12)21-17-11-20(2)15-6-4-3-5-14(15)17/h3-9,11,19H,10H2,1-2H3
InChIKeyGSQKWOTXQQPXEG-UHFFFAOYSA-N
XLogP4.19
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine (CID 11312629) is 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Sc1cn(C)c2ccccc12.
What is the InChIKey of 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine?
The InChIKey is GSQKWOTXQQPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-19-10-12-9-13(18)7-8-16(12)21-17-11-20(2)15-6-4-3-5-14(15)17/h3-9,11,19H,10H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine?
1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine has a molecular weight of 300.40 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(1-methylindol-3-yl)sulfanylphenyl]-N-methylmethanamine is sourced from PubChem (CID 11312629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).