(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine

C11H15FN2S — CID 115366694

IUPAC(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
SMILESNCc1ccc(N2CCSCC2)cc1F
InChIInChI=1S/C11H15FN2S/c12-11-7-10(2-1-9(11)8-13)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
InChIKeyULPTVXXXXZNODE-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.84
Rot. Bonds2

About (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine

(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine (PubChem CID 115366694) has the molecular formula C11H15FN2S and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
PubChem CID115366694
Molecular FormulaC11H15FN2S
Molecular Weight226.32 g/mol
Exact Mass226.09
IUPAC Name(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine
SMILESNCc1ccc(N2CCSCC2)cc1F
InChIInChI=1S/C11H15FN2S/c12-11-7-10(2-1-9(11)8-13)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2
InChIKeyULPTVXXXXZNODE-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azocan-1-yl)-2-fluorophenyl]methanamine
CID 115366666
[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-fluorophenyl]methanamine
CID 107453127
[4-(4-cyclopropylpiperazin-1-yl)-2-fluorophenyl]methanamine
CID 113295404
[2-fluoro-4-(1,4-oxazepan-4-yl)phenyl]methanamine
CID 115366849
[4-(1,3-dihydroisoindol-2-yl)-2-fluorophenyl]methanamine
CID 115366831
1-[1-[4-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624320
3-(2-fluoro-4-pyrrolidin-1-ylphenyl)propan-1-amine
CID 170878920
1-[4-(aminomethyl)-3-fluorophenyl]-N-methylpiperidine-4-carboxamide
CID 115366710
[2-fluoro-4-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 115366639
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
1-(4-ethyl-3-fluorophenyl)-4-methylpiperazine
CID 70652464
[2-thiomorpholin-4-yl-5-(trifluoromethyl)phenyl]methanamine
CID 43528577

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?
The IUPAC name of (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine (CID 115366694) is (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine.
What is the SMILES notation for (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?
The canonical SMILES for (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine is NCc1ccc(N2CCSCC2)cc1F.
What is the InChIKey of (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?
The InChIKey is ULPTVXXXXZNODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2S/c12-11-7-10(2-1-9(11)8-13)14-3-5-15-6-4-14/h1-2,7H,3-6,8,13H2.
What are the key properties of (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine?
(2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine has a molecular weight of 226.32 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-thiomorpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 115366694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).