2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine

C17H16ClFN2S — CID 67018468

IUPAC2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine
SMILESCc1[nH]c2ccc(F)cc2c1Sc1ccc(Cl)cc1CCN
InChIInChI=1S/C17H16ClFN2S/c1-10-17(14-9-13(19)3-4-15(14)21-10)22-16-5-2-12(18)8-11(16)6-7-20/h2-5,8-9,21H,6-7,20H2,1H3
InChIKeyIDUWDZNOMSJLGE-UHFFFAOYSA-N
MW334.85 g/mol
LogP4.92
Rot. Bonds4

About 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine

2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine (PubChem CID 67018468) has the molecular formula C17H16ClFN2S and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine
PubChem CID67018468
Molecular FormulaC17H16ClFN2S
Molecular Weight334.85 g/mol
Exact Mass334.07
IUPAC Name2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine
SMILESCc1[nH]c2ccc(F)cc2c1Sc1ccc(Cl)cc1CCN
InChIInChI=1S/C17H16ClFN2S/c1-10-17(14-9-13(19)3-4-15(14)21-10)22-16-5-2-12(18)8-11(16)6-7-20/h2-5,8-9,21H,6-7,20H2,1H3
InChIKeyIDUWDZNOMSJLGE-UHFFFAOYSA-N
XLogP4.92
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylphenyl)sulfanyl-5-fluoro-2-methyl-1H-indole
CID 91803673
2-[2-[2-(2-aminoethyl)-4-chlorophenyl]sulfanyl-5-chlorophenyl]ethanamine
CID 67297854
2-[5-fluoro-2-(4-propan-2-ylphenyl)sulfanylphenyl]ethanamine
CID 63819955
2-[2-[(6-chloro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]acetic acid
CID 56839997
2-[2-[(4-chlorophenyl)methylsulfanyl]-5-fluorophenyl]ethanamine
CID 114792466
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
2-[2-(1H-benzimidazol-2-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63818943
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
2-[5-chloro-2-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]ethanamine
CID 114865862
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 113211872
2-(4-chlorophenyl)-N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 113085910
3-(5-chloro-2-methylsulfanylphenyl)propan-1-amine
CID 82264895

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine?
The IUPAC name of 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine (CID 67018468) is 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine.
What is the SMILES notation for 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine?
The canonical SMILES for 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine is Cc1[nH]c2ccc(F)cc2c1Sc1ccc(Cl)cc1CCN.
What is the InChIKey of 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine?
The InChIKey is IDUWDZNOMSJLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2S/c1-10-17(14-9-13(19)3-4-15(14)21-10)22-16-5-2-12(18)8-11(16)6-7-20/h2-5,8-9,21H,6-7,20H2,1H3.
What are the key properties of 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine?
2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine has a molecular weight of 334.85 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(5-fluoro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]ethanamine is sourced from PubChem (CID 67018468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).