1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine

C18H19FN2OS — CID 11461669

IUPAC1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1c[nH]c2ccc(OC)c(C)c12
InChIInChI=1S/C18H19FN2OS/c1-11-15(22-3)6-5-14-18(11)17(10-21-14)23-16-7-4-13(19)8-12(16)9-20-2/h4-8,10,20-21H,9H2,1-3H3
InChIKeyBOKXYDNWGZMLJA-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.49
Rot. Bonds5

About 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine

1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 11461669) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
PubChem CID11461669
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1c[nH]c2ccc(OC)c(C)c12
InChIInChI=1S/C18H19FN2OS/c1-11-15(22-3)6-5-14-18(11)17(10-21-14)23-16-7-4-13(19)8-12(16)9-20-2/h4-8,10,20-21H,9H2,1-3H3
InChIKeyBOKXYDNWGZMLJA-UHFFFAOYSA-N
XLogP4.49
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine (CID 11461669) is 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Sc1c[nH]c2ccc(OC)c(C)c12.
What is the InChIKey of 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is BOKXYDNWGZMLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-11-15(22-3)6-5-14-18(11)17(10-21-14)23-16-7-4-13(19)8-12(16)9-20-2/h4-8,10,20-21H,9H2,1-3H3.
What are the key properties of 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 330.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(5-methoxy-4-methyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 11461669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).