2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine

C17H16F2N2S — CID 15979613

IUPAC2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNCCc1cc(F)ccc1Sc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H16F2N2S/c1-20-7-6-11-8-12(18)3-5-16(11)22-17-10-21-15-9-13(19)2-4-14(15)17/h2-5,8-10,20-21H,6-7H2,1H3
InChIKeyZVRXWCHVOIXFSH-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.36
Rot. Bonds5

About 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine

2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine (PubChem CID 15979613) has the molecular formula C17H16F2N2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine
PubChem CID15979613
Molecular FormulaC17H16F2N2S
Molecular Weight318.39 g/mol
Exact Mass318.10
IUPAC Name2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine
SMILESCNCCc1cc(F)ccc1Sc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C17H16F2N2S/c1-20-7-6-11-8-12(18)3-5-16(11)22-17-10-21-15-9-13(19)2-4-14(15)17/h2-5,8-10,20-21H,6-7H2,1H3
InChIKeyZVRXWCHVOIXFSH-UHFFFAOYSA-N
XLogP4.36
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
The IUPAC name of 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine (CID 15979613) is 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
The canonical SMILES for 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine is CNCCc1cc(F)ccc1Sc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
The InChIKey is ZVRXWCHVOIXFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2S/c1-20-7-6-11-8-12(18)3-5-16(11)22-17-10-21-15-9-13(19)2-4-14(15)17/h2-5,8-10,20-21H,6-7H2,1H3.
What are the key properties of 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine?
2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine has a molecular weight of 318.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylethanamine is sourced from PubChem (CID 15979613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).