[3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine

C12H17FN2S — CID 102814037

IUPAC[3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine
SMILESCC1CSCCN1c1cc(F)cc(CN)c1
InChIInChI=1S/C12H17FN2S/c1-9-8-16-3-2-15(9)12-5-10(7-14)4-11(13)6-12/h4-6,9H,2-3,7-8,14H2,1H3
InChIKeyRHXZFJDNRZMBAV-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.23
Rot. Bonds2

About [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine

[3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine (PubChem CID 102814037) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine
PubChem CID102814037
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name[3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine
SMILESCC1CSCCN1c1cc(F)cc(CN)c1
InChIInChI=1S/C12H17FN2S/c1-9-8-16-3-2-15(9)12-5-10(7-14)4-11(13)6-12/h4-6,9H,2-3,7-8,14H2,1H3
InChIKeyRHXZFJDNRZMBAV-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine (CID 102814037) is [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine is CC1CSCCN1c1cc(F)cc(CN)c1.
What is the InChIKey of [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine?
The InChIKey is RHXZFJDNRZMBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-9-8-16-3-2-15(9)12-5-10(7-14)4-11(13)6-12/h4-6,9H,2-3,7-8,14H2,1H3.
What are the key properties of [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine?
[3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(3-methylthiomorpholin-4-yl)phenyl]methanamine is sourced from PubChem (CID 102814037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).