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

C17H17FN2S — CID 11266568

IUPAC1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1[nH]c2ccccc2c1C
InChIInChI=1S/C17H17FN2S/c1-11-14-5-3-4-6-15(14)20-17(11)21-16-8-7-13(18)9-12(16)10-19-2/h3-9,19-20H,10H2,1-2H3
InChIKeyYEIUGXGNKAYZDA-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.49
Rot. Bonds4

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

1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (PubChem CID 11266568) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
PubChem CID11266568
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC Name1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1Sc1[nH]c2ccccc2c1C
InChIInChI=1S/C17H17FN2S/c1-11-14-5-3-4-6-15(14)20-17(11)21-16-8-7-13(18)9-12(16)10-19-2/h3-9,19-20H,10H2,1-2H3
InChIKeyYEIUGXGNKAYZDA-UHFFFAOYSA-N
XLogP4.49
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-phenylsulfanylphenyl)-N-methylmethanamine
CID 63807135
1-(5-fluoro-2-naphthalen-2-ylsulfanylphenyl)-N-methylmethanamine
CID 63808898
1-[2-(3,4-dimethylphenyl)sulfanyl-5-fluorophenyl]-N-methylmethanamine
CID 63804444
1-[2-[(5,6-dimethoxy-1H-indol-3-yl)sulfanyl]-5-fluorophenyl]-N-methylmethanamine
CID 11416712
1-[5-chloro-2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 68540753
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63808629
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128
1-[5-fluoro-2-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-N-methylmethanamine
CID 63806022
[3-amino-4-[4-fluoro-2-(methylaminomethyl)phenyl]sulfanylphenyl]methanol
CID 24773642
2-(4-chlorophenyl)sulfanyl-3-methyl-1H-indole
CID 138983413
[2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-phenyldiazene
CID 71741127
N-[[5-fluoro-2-(2-methoxyphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 63814518

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine (CID 11266568) is 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is CNCc1cc(F)ccc1Sc1[nH]c2ccccc2c1C.
What is the InChIKey of 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
The InChIKey is YEIUGXGNKAYZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-11-14-5-3-4-6-15(14)20-17(11)21-16-8-7-13(18)9-12(16)10-19-2/h3-9,19-20H,10H2,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine?
1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine has a molecular weight of 300.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(3-methyl-1H-indol-2-yl)sulfanyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 11266568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).