2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine

C12H19FN2S — CID 106533807

IUPAC2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCNCc1cc(F)cc(SCCN(C)C)c1
InChIInChI=1S/C12H19FN2S/c1-14-9-10-6-11(13)8-12(7-10)16-5-4-15(2)3/h6-8,14H,4-5,9H2,1-3H3
InChIKeyUFQVJRTXIOBZRA-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.20
Rot. Bonds6

About 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine

2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine (PubChem CID 106533807) has the molecular formula C12H19FN2S and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
PubChem CID106533807
Molecular FormulaC12H19FN2S
Molecular Weight242.36 g/mol
Exact Mass242.13
IUPAC Name2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
SMILESCNCc1cc(F)cc(SCCN(C)C)c1
InChIInChI=1S/C12H19FN2S/c1-14-9-10-6-11(13)8-12(7-10)16-5-4-15(2)3/h6-8,14H,4-5,9H2,1-3H3
InChIKeyUFQVJRTXIOBZRA-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-tert-butylsulfanyl-5-fluorophenyl)-N-methylmethanamine
CID 106533694
5-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 106533724
3-fluoro-N-methyl-5-(methylaminomethyl)-N-propylaniline
CID 106530783
2-[3-(ethylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine
CID 66349608
N,N-diethyl-3-fluoro-5-(methylaminomethyl)aniline
CID 106530735
[3-[2-(dimethylamino)ethylsulfanyl]phenyl]methanol
CID 66347194
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
1-(4-ethylsulfanyl-3,5-difluorophenyl)-N-methylmethanamine
CID 63805016
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
N-[3-fluoro-5-(methylaminomethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 106530752
3-fluoro-N-methyl-5-(methylaminomethyl)-N-(3-methylphenyl)aniline
CID 106530942
1-[3,5-difluoro-4-(3-methoxypropylsulfanyl)phenyl]-N-methylmethanamine
CID 63855448

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine (CID 106533807) is 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine is CNCc1cc(F)cc(SCCN(C)C)c1.
What is the InChIKey of 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is UFQVJRTXIOBZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2S/c1-14-9-10-6-11(13)8-12(7-10)16-5-4-15(2)3/h6-8,14H,4-5,9H2,1-3H3.
What are the key properties of 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine?
2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 242.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(methylaminomethyl)phenyl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 106533807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).