N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine

C16H25FN2S — CID 107454016

IUPACN-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(F)c(CN2CCSCC2)c1
InChIInChI=1S/C16H25FN2S/c1-16(2,3)18-11-13-4-5-15(17)14(10-13)12-19-6-8-20-9-7-19/h4-5,10,18H,6-9,11-12H2,1-3H3
InChIKeyUZRJQXJUQGJXBK-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.26
Rot. Bonds4

About N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine

N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 107454016) has the molecular formula C16H25FN2S and a molecular weight of 296.45 g/mol. Its IUPAC name is N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
PubChem CID107454016
Molecular FormulaC16H25FN2S
Molecular Weight296.45 g/mol
Exact Mass296.17
IUPAC NameN-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1ccc(F)c(CN2CCSCC2)c1
InChIInChI=1S/C16H25FN2S/c1-16(2,3)18-11-13-4-5-15(17)14(10-13)12-19-6-8-20-9-7-19/h4-5,10,18H,6-9,11-12H2,1-3H3
InChIKeyUZRJQXJUQGJXBK-UHFFFAOYSA-N
XLogP3.26
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
CID 107454021
N-[[3-fluoro-4-(1,4-thiazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 63060084
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
N-[[4-fluoro-3-[(4-iodopyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107456580
2-methyl-N-[[5-methyl-4-(thiomorpholin-4-ylmethyl)thiophen-2-yl]methyl]propan-2-amine
CID 80728263
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CID 54970521
2-methyl-N-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]propan-2-amine
CID 62281237
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 107454402
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
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[4-fluoro-3-(oxetan-3-yloxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107457989

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine (CID 107454016) is N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1ccc(F)c(CN2CCSCC2)c1.
What is the InChIKey of N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is UZRJQXJUQGJXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2S/c1-16(2,3)18-11-13-4-5-15(17)14(10-13)12-19-6-8-20-9-7-19/h4-5,10,18H,6-9,11-12H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine?
N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 296.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107454016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).