[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine

C14H13F2NS — CID 114934314

IUPAC[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
SMILESNCc1cccc(SCc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NS/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-7H,8-9,17H2
InChIKeyMWLOZGGBXQDVKL-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.72
Rot. Bonds4

About [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine

[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine (PubChem CID 114934314) has the molecular formula C14H13F2NS and a molecular weight of 265.33 g/mol. Its IUPAC name is [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
PubChem CID114934314
Molecular FormulaC14H13F2NS
Molecular Weight265.33 g/mol
Exact Mass265.07
IUPAC Name[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
SMILESNCc1cccc(SCc2c(F)cccc2F)c1
InChIInChI=1S/C14H13F2NS/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-7H,8-9,17H2
InChIKeyMWLOZGGBXQDVKL-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 114934306
5-[[3-(aminomethyl)phenyl]sulfanylmethyl]-2-fluorobenzonitrile
CID 107887946
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
2-chloro-4-[(2,6-difluorophenyl)methylsulfanyl]aniline
CID 114930416
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
CID 84683032
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 61242880
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]aniline
CID 79133653
1-[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]ethanone
CID 114934300

Frequently Asked Questions

What is the IUPAC name of [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine (CID 114934314) is [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine is NCc1cccc(SCc2c(F)cccc2F)c1.
What is the InChIKey of [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine?
The InChIKey is MWLOZGGBXQDVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NS/c15-13-5-2-6-14(16)12(13)9-18-11-4-1-3-10(7-11)8-17/h1-7H,8-9,17H2.
What are the key properties of [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine?
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine has a molecular weight of 265.33 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 114934314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).