1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine

C18H20N2OS — CID 11278391

IUPAC1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc2[nH]cc(Sc3ccccc3CN(C)C)c2c1
InChIInChI=1S/C18H20N2OS/c1-20(2)12-13-6-4-5-7-17(13)22-18-11-19-16-9-8-14(21-3)10-15(16)18/h4-11,19H,12H2,1-3H3
InChIKeyAPZAIXNZUWZINV-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.39
Rot. Bonds5

About 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine

1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 11278391) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
PubChem CID11278391
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine
SMILESCOc1ccc2[nH]cc(Sc3ccccc3CN(C)C)c2c1
InChIInChI=1S/C18H20N2OS/c1-20(2)12-13-6-4-5-7-17(13)22-18-11-19-16-9-8-14(21-3)10-15(16)18/h4-11,19H,12H2,1-3H3
InChIKeyAPZAIXNZUWZINV-UHFFFAOYSA-N
XLogP4.39
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1H-indol-3-ylsulfanyl)phenyl]-N,N-dimethylmethanamine
CID 11818392
1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018370
2-[(5-methoxy-1H-indol-3-yl)sulfanyl]ethanamine
CID 13089119
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
2-[2-[(dimethylamino)methyl]phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 3233226
N,N-dimethyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)phenyl]methanamine
CID 174402839
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylcyclopropanamine
CID 67231451
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78873256
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-methylacetamide
CID 22367215
5-methoxy-N,N-di(propan-2-yl)-1H-indole-3-carboxamide
CID 91757486
2-[2-[(6-methoxy-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
CID 69121119

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine (CID 11278391) is 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine is COc1ccc2[nH]cc(Sc3ccccc3CN(C)C)c2c1.
What is the InChIKey of 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is APZAIXNZUWZINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-20(2)12-13-6-4-5-7-17(13)22-18-11-19-16-9-8-14(21-3)10-15(16)18/h4-11,19H,12H2,1-3H3.
What are the key properties of 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine?
1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 312.44 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 11278391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).