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

C15H16FNS — CID 55173090

IUPAC[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccccc1SCc1ccc(F)cc1CN
InChIInChI=1S/C15H16FNS/c1-11-4-2-3-5-15(11)18-10-12-6-7-14(16)8-13(12)9-17/h2-8H,9-10,17H2,1H3
InChIKeyUYIOCRLVTOVBQP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.89
Rot. Bonds4

About [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine

[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine (PubChem CID 55173090) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
PubChem CID55173090
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccccc1SCc1ccc(F)cc1CN
InChIInChI=1S/C15H16FNS/c1-11-4-2-3-5-15(11)18-10-12-6-7-14(16)8-13(12)9-17/h2-8H,9-10,17H2,1H3
InChIKeyUYIOCRLVTOVBQP-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

2-bromo-4-fluoro-1-[(2-methylphenyl)sulfanylmethyl]benzene
CID 55191860
2-[(4-fluoro-2-methylphenyl)methylsulfanyl]phenol
CID 113411833
[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 64764660
[5-fluoro-2-[(2-methylphenyl)methylsulfinylmethyl]phenyl]methanamine
CID 81333163
5-fluoro-2-[(4-fluoro-2-methylphenyl)methylsulfanyl]aniline
CID 114346132
[2-(benzylsulfanylmethyl)-5-fluorophenyl]methanamine
CID 55172896
[2-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[5-fluoro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289440
[5-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]phenyl]methanamine
CID 63289523
[2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-fluorophenyl]methanamine
CID 63289695
[4-fluoro-2-[(2-methylphenoxy)methyl]phenyl]methanamine
CID 64763729
1-(4-fluoro-2-methylphenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 114347272

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine (CID 55173090) is [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine is Cc1ccccc1SCc1ccc(F)cc1CN.
What is the InChIKey of [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is UYIOCRLVTOVBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11-4-2-3-5-15(11)18-10-12-6-7-14(16)8-13(12)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine?
[5-fluoro-2-[(2-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 [5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 55173090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).