[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine

C15H16FNS — CID 55172896

IUPAC[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CSCc1ccccc1
InChIInChI=1S/C15H16FNS/c16-15-7-6-13(14(8-15)9-17)11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2
InChIKeyDEQIXCXWXCQDBR-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.72
Rot. Bonds5

About [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine

[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine (PubChem CID 55172896) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine
PubChem CID55172896
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine
SMILESNCc1cc(F)ccc1CSCc1ccccc1
InChIInChI=1S/C15H16FNS/c16-15-7-6-13(14(8-15)9-17)11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2
InChIKeyDEQIXCXWXCQDBR-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(benzylsulfanylmethyl)-3-fluorophenyl]methanamine
CID 43530216
2-(benzylsulfanylmethyl)-4-fluorobenzoic acid
CID 114014735
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
(4-fluoro-2-phenylphenyl)methanamine
CID 46314898
2-(2-benzyl-5-fluorophenyl)ethanamine
CID 20642641
4-(benzylsulfanylmethyl)-2-[(2-chloro-4-fluorophenyl)methyl]-1,3-thiazole
CID 46083198
[2-(cyclopentylmethylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 64765035
[5-fluoro-2-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 63289568
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
[5-fluoro-2-(methoxymethyl)phenyl]methanamine
CID 63289386

Frequently Asked Questions

What is the IUPAC name of [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine?
The IUPAC name of [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine (CID 55172896) is [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine.
What is the SMILES notation for [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine?
The canonical SMILES for [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine is NCc1cc(F)ccc1CSCc1ccccc1.
What is the InChIKey of [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine?
The InChIKey is DEQIXCXWXCQDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c16-15-7-6-13(14(8-15)9-17)11-18-10-12-4-2-1-3-5-12/h1-8H,9-11,17H2.
What are the key properties of [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine?
[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine is sourced from PubChem (CID 55172896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).