1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine

C13H19FN2S — CID 107454021

IUPAC1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(CN2CCSCC2)c1
InChIInChI=1S/C13H19FN2S/c1-15-9-11-2-3-13(14)12(8-11)10-16-4-6-17-7-5-16/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeyIXKDQONBDVXCSA-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.09
Rot. Bonds4

About 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine

1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine (PubChem CID 107454021) has the molecular formula C13H19FN2S and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
PubChem CID107454021
Molecular FormulaC13H19FN2S
Molecular Weight254.37 g/mol
Exact Mass254.13
IUPAC Name1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(F)c(CN2CCSCC2)c1
InChIInChI=1S/C13H19FN2S/c1-15-9-11-2-3-13(14)12(8-11)10-16-4-6-17-7-5-16/h2-3,8,15H,4-7,9-10H2,1H3
InChIKeyIXKDQONBDVXCSA-UHFFFAOYSA-N
XLogP2.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107454016
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
1-[3-(8-azaspiro[4.5]decan-8-ylmethyl)-4-fluorophenyl]-N-methylmethanamine
CID 107454972
1-[4-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 107455267
1-[4-fluoro-3-[(3,4,5-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455791
1-[3-[(3,3-diethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107455362
1-[4-fluoro-3-[(3,3,4-trimethylpiperazin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 107455028
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
1-[3-[(3-ethoxypiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453653
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CID 54970521
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[4-fluoro-3-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]methyl]ethanamine
CID 107454554

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine (CID 107454021) is 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine is CNCc1ccc(F)c(CN2CCSCC2)c1.
What is the InChIKey of 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine?
The InChIKey is IXKDQONBDVXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2S/c1-15-9-11-2-3-13(14)12(8-11)10-16-4-6-17-7-5-16/h2-3,8,15H,4-7,9-10H2,1H3.
What are the key properties of 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine?
1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine has a molecular weight of 254.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107454021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).