[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine

C15H16FNS — CID 64764660

IUPAC[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccc(SCc2cc(F)ccc2CN)cc1
InChIInChI=1S/C15H16FNS/c1-11-2-6-15(7-3-11)18-10-13-8-14(16)5-4-12(13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyAURDDIKYKVSKKD-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.89
Rot. Bonds4

About [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine

[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine (PubChem CID 64764660) has the molecular formula C15H16FNS and a molecular weight of 261.37 g/mol. Its IUPAC name is [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
PubChem CID64764660
Molecular FormulaC15H16FNS
Molecular Weight261.37 g/mol
Exact Mass261.10
IUPAC Name[4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
SMILESCc1ccc(SCc2cc(F)ccc2CN)cc1
InChIInChI=1S/C15H16FNS/c1-11-2-6-15(7-3-11)18-10-13-8-14(16)5-4-12(13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyAURDDIKYKVSKKD-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-(aminomethyl)-4-fluorophenyl]methanamine
CID 44784876
[4-fluoro-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]methanamine
CID 65043451
[5-fluoro-2-[(2-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 55173090
[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine
CID 43530260
[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
[5-fluoro-2-[(4-methylphenyl)sulfonylmethyl]phenyl]methanamine
CID 64697774
[4-fluoro-2-(thiophen-2-ylsulfanylmethyl)phenyl]methanamine
CID 64763920
[2-[(2,5-dimethylpyrazol-3-yl)sulfanylmethyl]-5-fluorophenyl]methanamine
CID 63289695
2-[(4-tert-butylphenyl)sulfanylmethyl]-5-fluoroaniline
CID 64770015
1-[5-fluoro-2-(4-methylphenyl)sulfanylphenyl]propan-2-amine
CID 63818759
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 64765590

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The IUPAC name of [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine (CID 64764660) is [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The canonical SMILES for [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine is Cc1ccc(SCc2cc(F)ccc2CN)cc1.
What is the InChIKey of [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
The InChIKey is AURDDIKYKVSKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNS/c1-11-2-6-15(7-3-11)18-10-13-8-14(16)5-4-12(13)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-fluoro-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine?
[4-fluoro-2-[(4-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-2-[(4-methylphenyl)sulfanylmethyl]phenyl]methanamine is sourced from PubChem (CID 64764660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).