2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine

C19H22N2S — CID 67018414

IUPAC2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
SMILESCCc1cccc2c(Sc3ccc(C)cc3CCN)c[nH]c12
InChIInChI=1S/C19H22N2S/c1-3-14-5-4-6-16-18(12-21-19(14)16)22-17-8-7-13(2)11-15(17)9-10-20/h4-8,11-12,21H,3,9-10,20H2,1-2H3
InChIKeyBZVIKECCZINTEX-UHFFFAOYSA-N
MW310.47 g/mol
LogP4.69
Rot. Bonds5

About 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine

2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine (PubChem CID 67018414) has the molecular formula C19H22N2S and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
PubChem CID67018414
Molecular FormulaC19H22N2S
Molecular Weight310.47 g/mol
Exact Mass310.15
IUPAC Name2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine
SMILESCCc1cccc2c(Sc3ccc(C)cc3CCN)c[nH]c12
InChIInChI=1S/C19H22N2S/c1-3-14-5-4-6-16-18(12-21-19(14)16)22-17-8-7-13(2)11-15(17)9-10-20/h4-8,11-12,21H,3,9-10,20H2,1-2H3
InChIKeyBZVIKECCZINTEX-UHFFFAOYSA-N
XLogP4.69
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
The IUPAC name of 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine (CID 67018414) is 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine is CCc1cccc2c(Sc3ccc(C)cc3CCN)c[nH]c12.
What is the InChIKey of 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
The InChIKey is BZVIKECCZINTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2S/c1-3-14-5-4-6-16-18(12-21-19(14)16)22-17-8-7-13(2)11-15(17)9-10-20/h4-8,11-12,21H,3,9-10,20H2,1-2H3.
What are the key properties of 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine?
2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine has a molecular weight of 310.47 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(7-ethyl-1H-indol-3-yl)sulfanyl]-5-methylphenyl]ethanamine is sourced from PubChem (CID 67018414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).