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

C15H16FNS — CID 61242880

IUPAC[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1cccc(SCc2cc(CN)ccc2F)c1
InChIInChI=1S/C15H16FNS/c1-11-3-2-4-14(7-11)18-10-13-8-12(9-17)5-6-15(13)16/h2-8H,9-10,17H2,1H3
InChIKeyVXEODYYASIKXRT-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.89
Rot. Bonds4

About [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine

[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine (PubChem CID 61242880) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
PubChem CID61242880
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name[4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1cccc(SCc2cc(CN)ccc2F)c1
InChIInChI=1S/C15H16FNS/c1-11-3-2-4-14(7-11)18-10-13-8-12(9-17)5-6-15(13)16/h2-8H,9-10,17H2,1H3
InChIKeyVXEODYYASIKXRT-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-(phenylsulfanylmethyl)phenyl]methanamine
CID 43530140
[2-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 107118906
[4-[(3-chlorophenyl)sulfanylmethyl]-3-fluorophenyl]methanamine
CID 62645603
[2-fluoro-5-[(3-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107880544
[3-fluoro-4-(3-methylphenyl)sulfanylphenyl]methanamine
CID 61245088
2-bromo-1-fluoro-4-[(3-methylphenyl)sulfanylmethyl]benzene
CID 63458750
[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 62304801
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
2-fluoro-5-[(3-methylphenyl)sulfanylmethyl]benzoic acid
CID 114012294
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[3-(aminomethyl)-4-fluorophenyl]methanamine
CID 62072221
[4-fluoro-3-(propylsulfanylmethyl)phenyl]methanamine
CID 43530076

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine (CID 61242880) is [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine is Cc1cccc(SCc2cc(CN)ccc2F)c1.
What is the InChIKey of [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is VXEODYYASIKXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11-3-2-4-14(7-11)18-10-13-8-12(9-17)5-6-15(13)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine?
[4-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 [4-fluoro-3-[(3-methylphenyl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 61242880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).