[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine

C15H16FNS — CID 107118906

IUPAC[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1cccc(SCc2cccc(CN)c2F)c1
InChIInChI=1S/C15H16FNS/c1-11-4-2-7-14(8-11)18-10-13-6-3-5-12(9-17)15(13)16/h2-8H,9-10,17H2,1H3
InChIKeyPQROOQUQBDLMHZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.89
Rot. Bonds4

About [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine

[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine (PubChem CID 107118906) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
PubChem CID107118906
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1cccc(SCc2cccc(CN)c2F)c1
InChIInChI=1S/C15H16FNS/c1-11-4-2-7-14(8-11)18-10-13-6-3-5-12(9-17)15(13)16/h2-8H,9-10,17H2,1H3
InChIKeyPQROOQUQBDLMHZ-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 61242880
[3-[(4-bromophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118860
[2-fluoro-3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118884
4,6-dichloro-5-fluoro-2-[(3-methylphenyl)sulfanylmethyl]pyrimidine
CID 80550367
[2-[3-(3-methylphenyl)sulfanylpropoxy]phenyl]methanamine
CID 61243254
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
[3-[(2,5-dichlorophenyl)sulfanylmethyl]-2-fluorophenyl]methanamine
CID 107118876
2-[(2,3-difluorophenyl)methylsulfanyl]-4-methylaniline
CID 79142132
[5-fluoro-6-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]hydrazine
CID 66086639
2-fluoro-3-(phenylsulfanylmethyl)aniline
CID 107349748
2-bromo-1-fluoro-4-[(3-methylphenyl)sulfanylmethyl]benzene
CID 63458750
2-[(3-methylphenyl)sulfanylmethyl]pyridin-4-amine
CID 79259714

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine (CID 107118906) is [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine is Cc1cccc(SCc2cccc(CN)c2F)c1.
What is the InChIKey of [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is PQROOQUQBDLMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11-4-2-7-14(8-11)18-10-13-6-3-5-12(9-17)15(13)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 107118906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).