1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine

C16H14ClFN2S — CID 68540753

IUPAC1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Sc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H14ClFN2S/c1-19-8-10-6-11(17)2-5-15(10)21-16-9-20-14-7-12(18)3-4-13(14)16/h2-7,9,19-20H,8H2,1H3
InChIKeyPHMFVYUNQMALTR-UHFFFAOYSA-N
MW320.82 g/mol
LogP4.83
Rot. Bonds4

About 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine

1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 68540753) has the molecular formula C16H14ClFN2S and a molecular weight of 320.82 g/mol. Its IUPAC name is 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
PubChem CID68540753
Molecular FormulaC16H14ClFN2S
Molecular Weight320.82 g/mol
Exact Mass320.06
IUPAC Name1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(Cl)ccc1Sc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C16H14ClFN2S/c1-19-8-10-6-11(17)2-5-15(10)21-16-9-20-14-7-12(18)3-4-13(14)16/h2-7,9,19-20H,8H2,1H3
InChIKeyPHMFVYUNQMALTR-UHFFFAOYSA-N
XLogP4.83
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine
CID 11416712
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-[4-chloro-2-[(4-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 57461258
1-[4-chloro-2-[(5-methoxy-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018370
1-[5-chloro-2-(2-methylphenyl)sulfanylphenyl]-N-methylmethanamine
CID 114864440
(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
3-(2-ethyl-4,5-dimethoxyphenyl)sulfanyl-6-fluoro-1H-indole
CID 91498641
1-(5-chloro-2-propan-2-ylsulfanylphenyl)-N-methylmethanamine
CID 82553451
1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
1-[5-chloro-2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-N-methylmethanamine
CID 114864516
1-[4-chloro-2-[(7-ethyl-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 67018355
1-(2-tert-butylsulfanyl-5-chlorophenyl)-N-methylmethanamine
CID 114863850

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine (CID 68540753) is 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine is CNCc1cc(Cl)ccc1Sc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is PHMFVYUNQMALTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2S/c1-19-8-10-6-11(17)2-5-15(10)21-16-9-20-14-7-12(18)3-4-13(14)16/h2-7,9,19-20H,8H2,1H3.
What are the key properties of 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine?
1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 320.82 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 68540753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).