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

C16H18FNS — CID 107118915

IUPAC[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
SMILESCc1ccccc1CSCc1cccc(CN)c1F
InChIInChI=1S/C16H18FNS/c1-12-5-2-3-6-14(12)10-19-11-15-8-4-7-13(9-18)16(15)17/h2-8H,9-11,18H2,1H3
InChIKeyLOECPTAUZDWLGO-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.03
Rot. Bonds5

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

[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine (PubChem CID 107118915) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
PubChem CID107118915
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
SMILESCc1ccccc1CSCc1cccc(CN)c1F
InChIInChI=1S/C16H18FNS/c1-12-5-2-3-6-14(12)10-19-11-15-8-4-7-13(9-18)16(15)17/h2-8H,9-11,18H2,1H3
InChIKeyLOECPTAUZDWLGO-UHFFFAOYSA-N
XLogP4.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
[2-fluoro-3-[(2-methylphenyl)methylsulfonylmethyl]phenyl]methanamine
CID 107120125
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
(2-methylphenyl)methanamine;molecular hydrogen;propane
CID 144873800
ethanethial;(2-methylphenyl)methanamine
CID 143288844
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 79233187
3-[2-[(2-methylphenyl)methylsulfanylmethyl]phenyl]prop-2-yn-1-amine
CID 62771774
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118906
3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine
CID 103371676
4-(aminomethyl)-2,3-difluoro-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 107932729
2-bromo-1-fluoro-4-[(2-methylphenyl)methylsulfanylmethyl]benzene
CID 55192429
4-[(2-methylphenyl)methylsulfanylmethyl]phenol
CID 18959071

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine (CID 107118915) is [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine is Cc1ccccc1CSCc1cccc(CN)c1F.
What is the InChIKey of [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
The InChIKey is LOECPTAUZDWLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-12-5-2-3-6-14(12)10-19-11-15-8-4-7-13(9-18)16(15)17/h2-8H,9-11,18H2,1H3.
What are the key properties of [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine?
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine has a molecular weight of 275.39 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 107118915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).