[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine

C14H14FNS — CID 43530140

IUPAC[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)c(CSc2ccccc2)c1
InChIInChI=1S/C14H14FNS/c15-14-7-6-11(9-16)8-12(14)10-17-13-4-2-1-3-5-13/h1-8H,9-10,16H2
InChIKeyYPECDVXBFPGURY-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.58
Rot. Bonds4

About [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine

[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine (PubChem CID 43530140) has the molecular formula C14H14FNS and a molecular weight of 247.34 g/mol. Its IUPAC name is [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine
PubChem CID43530140
Molecular FormulaC14H14FNS
Molecular Weight247.34 g/mol
Exact Mass247.08
IUPAC Name[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine
SMILESNCc1ccc(F)c(CSc2ccccc2)c1
InChIInChI=1S/C14H14FNS/c15-14-7-6-11(9-16)8-12(14)10-17-13-4-2-1-3-5-13/h1-8H,9-10,16H2
InChIKeyYPECDVXBFPGURY-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 61242880
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-[(4-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114859715
[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 43530097
[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 62304801
[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530076
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
[4-fluoro-3-[(2-fluorophenyl)methoxymethyl]phenyl]methanamine
CID 63934665
[3-(butan-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
CID 43530003
[4-[(3-bromo-4-fluorophenyl)methylsulfanyl]phenyl]methanamine
CID 113384694
(4-fluoro-3-naphthalen-2-ylphenyl)methanamine
CID 54912183

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine?
The IUPAC name of [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine (CID 43530140) is [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine is NCc1ccc(F)c(CSc2ccccc2)c1.
What is the InChIKey of [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine?
The InChIKey is YPECDVXBFPGURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNS/c15-14-7-6-11(9-16)8-12(14)10-17-13-4-2-1-3-5-13/h1-8H,9-10,16H2.
What are the key properties of [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine?
[4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine has a molecular weight of 247.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(phenylsulfanylmethyl)phenyl]methanamine is sourced from PubChem (CID 43530140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).