1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine

C18H19FN2O2S — CID 11416712

IUPAC1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1c[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C18H19FN2O2S/c1-20-9-11-6-12(19)4-5-17(11)24-18-10-21-14-8-16(23-3)15(22-2)7-13(14)18/h4-8,10,20-21H,9H2,1-3H3
InChIKeyADYCPRDBFKAHRJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.19
Rot. Bonds6

About 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine

1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine (PubChem CID 11416712) has the molecular formula C18H19FN2O2S and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine
PubChem CID11416712
Molecular FormulaC18H19FN2O2S
Molecular Weight346.43 g/mol
Exact Mass346.12
IUPAC Name1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1c[nH]c2cc(OC)c(OC)cc12
InChIInChI=1S/C18H19FN2O2S/c1-20-9-11-6-12(19)4-5-17(11)24-18-10-21-14-8-16(23-3)15(22-2)7-13(14)18/h4-8,10,20-21H,9H2,1-3H3
InChIKeyADYCPRDBFKAHRJ-UHFFFAOYSA-N
XLogP4.19
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 68540753
3-(2-ethyl-4,5-dimethoxyphenyl)sulfanyl-6-fluoro-1H-indole
CID 91498641
3-(2-ethylphenyl)sulfanyl-6-fluoro-1H-indole;[2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]methanol;1-[2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine;methanamine
CID 159138803
1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 11266568
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018370
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;1-[2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 46912242
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518
1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63808898
[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
CID 24773642
tert-butyl N-[2-[5-fluoro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]ethyl]-N-methylcarbamate
CID 69028499

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine (CID 11416712) is 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Sc1c[nH]c2cc(OC)c(OC)cc12.
What is the InChIKey of 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is ADYCPRDBFKAHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2S/c1-20-9-11-6-12(19)4-5-17(11)24-18-10-21-14-8-16(23-3)15(22-2)7-13(14)18/h4-8,10,20-21H,9H2,1-3H3.
What are the key properties of 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine?
1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 346.43 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 11416712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).