1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine

C17H17FN2S — CID 11255049

IUPAC1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1c[nH]c2cccc(F)c12
InChIInChI=1S/C17H17FN2S/c1-20(2)11-12-6-3-4-9-15(12)21-16-10-19-14-8-5-7-13(18)17(14)16/h3-10,19H,11H2,1-2H3
InChIKeyXESXKPXXZQPJOP-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.52
Rot. Bonds4

About 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine

1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 11255049) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
PubChem CID11255049
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccccc1Sc1c[nH]c2cccc(F)c12
InChIInChI=1S/C17H17FN2S/c1-20(2)11-12-6-3-4-9-15(12)21-16-10-19-14-8-5-7-13(18)17(14)16/h3-10,19H,11H2,1-2H3
InChIKeyXESXKPXXZQPJOP-UHFFFAOYSA-N
XLogP4.52
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine (CID 11255049) is 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccccc1Sc1c[nH]c2cccc(F)c12.
What is the InChIKey of 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is XESXKPXXZQPJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-20(2)11-12-6-3-4-9-15(12)21-16-10-19-14-8-5-7-13(18)17(14)16/h3-10,19H,11H2,1-2H3.
What are the key properties of 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 300.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11255049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).