[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine

C12H17FN2S — CID 107878107

IUPAC[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
SMILESNCc1cc(CN2CCSCC2)ccc1F
InChIInChI=1S/C12H17FN2S/c13-12-2-1-10(7-11(12)8-14)9-15-3-5-16-6-4-15/h1-2,7H,3-6,8-9,14H2
InChIKeySMAZHNPZLSQUHP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.83
Rot. Bonds3

About [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine

[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine (PubChem CID 107878107) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
PubChem CID107878107
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
SMILESNCc1cc(CN2CCSCC2)ccc1F
InChIInChI=1S/C12H17FN2S/c13-12-2-1-10(7-11(12)8-14)9-15-3-5-16-6-4-15/h1-2,7H,3-6,8-9,14H2
InChIKeySMAZHNPZLSQUHP-UHFFFAOYSA-N
XLogP1.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]boronic acid
CID 54970521
1-[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]-N-methylmethanamine
CID 107454021
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026
N-[[4-fluoro-3-(thiomorpholin-4-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 107454016
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 107878368
[3-chloro-4-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 102662746
[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-2-fluorophenyl]methanamine
CID 107878502

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine (CID 107878107) is [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine is NCc1cc(CN2CCSCC2)ccc1F.
What is the InChIKey of [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine?
The InChIKey is SMAZHNPZLSQUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c13-12-2-1-10(7-11(12)8-14)9-15-3-5-16-6-4-15/h1-2,7H,3-6,8-9,14H2.
What are the key properties of [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine?
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine is sourced from PubChem (CID 107878107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).